4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide

C138H135F3N28O9S — CID 161340522

IUPAC4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide
SMILESCC(C)Nc1ccnc(NNC(=O)c2ccc(CNCc3ccccn3)cc2)n1.CN(NC(=O)c1ccc(CNCc2ccccn2)cc1)c1ccccc1.O=C(NCc1ccccc1)c1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3[nH]2)cc1.O=C(NCc1ccccn1)c1ccc(C(=O)NNc2ccccc2)cc1.O=C(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)NCc1ccccc1.O=S(=O)(NNc1ccccc1)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C30H26N4O2.C28H28N4O.C21H25N7O.C21H22N4O.C20H18N4O2.C18H16F3N5O2S/c35-29(31-19-22-9-3-1-4-10-22)24-15-17-25(18-16-24)30(36)34(20-23-11-5-2-6-12-23)21-28-32-26-13-7-8-14-27(26)33-28;33-28(26-16-14-24(15-17-26)19-29-21-27-13-7-8-18-30-27)32(22-25-11-5-2-6-12-25)31-20-23-9-3-1-4-10-23;1-15(2)25-19-10-12-24-21(26-19)28-27-20(29)17-8-6-16(7-9-17)13-22-14-18-5-3-4-11-23-18;1-25(20-8-3-2-4-9-20)24-21(26)18-12-10-17(11-13-18)15-22-16-19-7-5-6-14-23-19;25-19(22-14-18-8-4-5-13-21-18)15-9-11-16(12-10-15)20(26)24-23-17-6-2-1-3-7-17;19-18(20,21)16-10-11-22-17(24-16)23-12-13-6-8-15(9-7-13)29(27,28)26-25-14-4-2-1-3-5-14/h1-18H,19-21H2,(H,31,35)(H,32,33);1-18,29,31H,19-22H2;3-12,15,22H,13-14H2,1-2H3,(H,27,29)(H2,24,25,26,28);2-14,22H,15-16H2,1H3,(H,24,26);1-13,23H,14H2,(H,22,25)(H,24,26);1-11,25-26H,12H2,(H,22,23,24)
InChIKeyVMPHMXWVEQSXQV-UHFFFAOYSA-N
MW2418.85 g/mol
LogP22.13
Rot. Bonds47

About 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide

4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide (PubChem CID 161340522) has the molecular formula C138H135F3N28O9S and a molecular weight of 2418.85 g/mol. Its IUPAC name is 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide.

Molecular Properties

Compound Name4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide
PubChem CID161340522
Molecular FormulaC138H135F3N28O9S
Molecular Weight2418.85 g/mol
Exact Mass2417.06
IUPAC Name4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide
SMILESCC(C)Nc1ccnc(NNC(=O)c2ccc(CNCc3ccccn3)cc2)n1.CN(NC(=O)c1ccc(CNCc2ccccn2)cc1)c1ccccc1.O=C(NCc1ccccc1)c1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3[nH]2)cc1.O=C(NCc1ccccn1)c1ccc(C(=O)NNc2ccccc2)cc1.O=C(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)NCc1ccccc1.O=S(=O)(NNc1ccccc1)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C30H26N4O2.C28H28N4O.C21H25N7O.C21H22N4O.C20H18N4O2.C18H16F3N5O2S/c35-29(31-19-22-9-3-1-4-10-22)24-15-17-25(18-16-24)30(36)34(20-23-11-5-2-6-12-23)21-28-32-26-13-7-8-14-27(26)33-28;33-28(26-16-14-24(15-17-26)19-29-21-27-13-7-8-18-30-27)32(22-25-11-5-2-6-12-25)31-20-23-9-3-1-4-10-23;1-15(2)25-19-10-12-24-21(26-19)28-27-20(29)17-8-6-16(7-9-17)13-22-14-18-5-3-4-11-23-18;1-25(20-8-3-2-4-9-20)24-21(26)18-12-10-17(11-13-18)15-22-16-19-7-5-6-14-23-19;25-19(22-14-18-8-4-5-13-21-18)15-9-11-16(12-10-15)20(26)24-23-17-6-2-1-3-7-17;19-18(20,21)16-10-11-22-17(24-16)23-12-13-6-8-15(9-7-13)29(27,28)26-25-14-4-2-1-3-5-14/h1-18H,19-21H2,(H,31,35)(H,32,33);1-18,29,31H,19-22H2;3-12,15,22H,13-14H2,1-2H3,(H,27,29)(H2,24,25,26,28);2-14,22H,15-16H2,1H3,(H,24,26);1-13,23H,14H2,(H,22,25)(H,24,26);1-11,25-26H,12H2,(H,22,23,24)
InChIKeyVMPHMXWVEQSXQV-UHFFFAOYSA-N
XLogP22.13
TPSA475.60 Ų
H-Bond Donors16
H-Bond Acceptors28
Rotatable Bonds47
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002418.85
LogP ≤ 522.13
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide with MolForge

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-benzyl-2-(2-pyridin-2-ylhydrazinyl)pyrimidine-4-carboxamide;N-benzyl-N-[[2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidin-5-yl]methyl]benzenesulfonamide;N-[[2-(2-benzylhydrazinyl)pyrimidin-4-yl]methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzamide;N-[[2-(2-benzylhydrazinyl)-4-(trifluoromethyl)pyrimidin-5-yl]methyl]-1-phenylmethanamine;N,N-dibenzyl-2-(2-benzylhydrazinyl)pyrimidine-4-carboxamide
CID 158918053
[4-[2-[4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]-1-[2-[1-(4-pyridin-2-ylphenyl)sulfonylpiperidin-4-yl]benzimidazol-1-yl]-2-pyridinyl]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 87398761
N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide;N-[[4-(anilinocarbamoyl)phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide;4-[[1H-benzimidazol-2-ylmethyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-methyl-N'-phenylbenzohydrazide;N-methyl-N'-phenyl-4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzohydrazide;N-[[4-[(N-methylsulfonylanilino)carbamoyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 157092239
4-[5-amino-6-(1H-benzimidazol-2-yl)pyrazin-2-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide;[4-[5-amino-6-(6-methyl-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone;3-(1H-benzimidazol-2-yl)-5-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazin-2-amine
CID 157181491
2-[1-[4-(2-fluorophenyl)benzoyl]piperidin-4-yl]-1H-imidazole-5-carbonitrile;2-[[1-[4-(2-fluorophenyl)benzoyl]piperidin-4-yl]methyl]-3H-pyrrole-5-carbonitrile;2-[4-[3-(1H-imidazol-2-yl)azetidin-1-yl]sulfonylphenyl]pyridine;2-[4-[4-(1H-imidazol-2-yl)piperidin-1-yl]sulfonylphenyl]pyridine;2-[[1-(4-phenylbenzoyl)piperidin-4-yl]methyl]-3H-pyrrole-5-carbonitrile;2-[1-(4-pyridin-2-ylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 159260753
4-(aminomethyl)-N-(1H-benzimidazol-2-ylmethyl)-N-benzylbenzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(benzylamino)methyl]-N-(1-phenylethyl)benzenesulfonamide;N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]-N-(5,6,7,8-tetrahydroquinolin-8-yl)benzenesulfonamide;N,N-dibenzyl-4-[[(3-methyl-2-pyridinyl)methylamino]methyl]benzenesulfonamide;methane;N-(pyridin-2-ylmethyl)-4-(5,6,7,8-tetrahydroquinolin-8-ylsulfamoyl)benzamide
CID 161064155

Frequently Asked Questions

What is the IUPAC name of 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide?
The IUPAC name of 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide (CID 161340522) is 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide.
What is the SMILES notation for 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide?
The canonical SMILES for 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide is CC(C)Nc1ccnc(NNC(=O)c2ccc(CNCc3ccccn3)cc2)n1.CN(NC(=O)c1ccc(CNCc2ccccn2)cc1)c1ccccc1.O=C(NCc1ccccc1)c1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3[nH]2)cc1.O=C(NCc1ccccn1)c1ccc(C(=O)NNc2ccccc2)cc1.O=C(c1ccc(CNCc2ccccn2)cc1)N(Cc1ccccc1)NCc1ccccc1.O=S(=O)(NNc1ccccc1)c1ccc(CNc2nccc(C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide?
The InChIKey is VMPHMXWVEQSXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2.C28H28N4O.C21H25N7O.C21H22N4O.C20H18N4O2.C18H16F3N5O2S/c35-29(31-19-22-9-3-1-4-10-22)24-15-17-25(18-16-24)30(36)34(20-23-11-5-2-6-12-23)21-28-32-26-13-7-8-14-27(26)33-28;33-28(26-16-14-24(15-17-26)19-29-21-27-13-7-8-18-30-27)32(22-25-11-5-2-6-12-25)31-20-23-9-3-1-4-10-23;1-15(2)25-19-10-12-24-21(26-19)28-27-20(29)17-8-6-16(7-9-17)13-22-14-18-5-3-4-11-23-18;1-25(20-8-3-2-4-9-20)24-21(26)18-12-10-17(11-13-18)15-22-16-19-7-5-6-14-23-19;25-19(22-14-18-8-4-5-13-21-18)15-9-11-16(12-10-15)20(26)24-23-17-6-2-1-3-7-17;19-18(20,21)16-10-11-22-17(24-16)23-12-13-6-8-15(9-7-13)29(27,28)26-25-14-4-2-1-3-5-14/h1-18H,19-21H2,(H,31,35)(H,32,33);1-18,29,31H,19-22H2;3-12,15,22H,13-14H2,1-2H3,(H,27,29)(H2,24,25,26,28);2-14,22H,15-16H2,1H3,(H,24,26);1-13,23H,14H2,(H,22,25)(H,24,26);1-11,25-26H,12H2,(H,22,23,24).
What are the key properties of 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide?
4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide has a molecular weight of 2418.85 g/mol, XLogP of 22.13, 47 rotatable bonds, 16 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(anilinocarbamoyl)-N-(pyridin-2-ylmethyl)benzamide;4-N-(1H-benzimidazol-2-ylmethyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide;N,N'-dibenzyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-methyl-N'-phenyl-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide;N'-phenyl-4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzenesulfonohydrazide;N'-[4-(propan-2-ylamino)pyrimidin-2-yl]-4-[(pyridin-2-ylmethylamino)methyl]benzohydrazide is sourced from PubChem (CID 161340522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).