N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane

C88H85FN12O4 — CID 162258801

IUPACN-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane
SMILESC.C#Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cccnc3)c2)c1.CCCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(C)c2)c1.CCN(c1cccnc1)c1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H25N3O.C22H19N3O.C21H16FN3O.C21H21N3O.CH4/c1-3-4-14-26(22-12-7-13-24-17-22)21-11-6-10-20(16-21)25-23(27)19-9-5-8-18(2)15-19;1-3-17-8-5-9-18(14-17)22(26)24-19-10-6-11-20(15-19)25(4-2)21-12-7-13-23-16-21;1-3-15-6-4-7-16(10-15)21(26)24-18-11-17(22)12-20(13-18)25(2)19-8-5-9-23-14-19;1-3-24(20-11-6-12-22-15-20)19-10-5-9-18(14-19)23-21(25)17-8-4-7-16(2)13-17;/h5-13,15-17H,3-4,14H2,1-2H3,(H,25,27);1,5-16H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,24,26);4-15H,3H2,1-2H3,(H,23,25);1H4
InChIKeyZYYJWJNTPVUICT-UHFFFAOYSA-N
MW1393.73 g/mol
LogP19.71
Rot. Bonds21

About N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane

N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane (PubChem CID 162258801) has the molecular formula C88H85FN12O4 and a molecular weight of 1393.73 g/mol. Its IUPAC name is N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane.

Molecular Properties

Compound NameN-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane
PubChem CID162258801
Molecular FormulaC88H85FN12O4
Molecular Weight1393.73 g/mol
Exact Mass1392.68
IUPAC NameN-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane
SMILESC.C#Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cccnc3)c2)c1.CCCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(C)c2)c1.CCN(c1cccnc1)c1cccc(NC(=O)c2cccc(C)c2)c1
InChIInChI=1S/C23H25N3O.C22H19N3O.C21H16FN3O.C21H21N3O.CH4/c1-3-4-14-26(22-12-7-13-24-17-22)21-11-6-10-20(16-21)25-23(27)19-9-5-8-18(2)15-19;1-3-17-8-5-9-18(14-17)22(26)24-19-10-6-11-20(15-19)25(4-2)21-12-7-13-23-16-21;1-3-15-6-4-7-16(10-15)21(26)24-18-11-17(22)12-20(13-18)25(2)19-8-5-9-23-14-19;1-3-24(20-11-6-12-22-15-20)19-10-5-9-18(14-19)23-21(25)17-8-4-7-16(2)13-17;/h5-13,15-17H,3-4,14H2,1-2H3,(H,25,27);1,5-16H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,24,26);4-15H,3H2,1-2H3,(H,23,25);1H4
InChIKeyZYYJWJNTPVUICT-UHFFFAOYSA-N
XLogP19.71
TPSA180.92 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001393.73
LogP ≤ 519.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane with MolForge

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Related Compounds

3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide
CID 123337602
N-[3-chloro-5-[(5-fluoro-3-pyridinyl)oxy]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-methylbenzamide
CID 123209020
5-chloro-2-fluoro-N-(3-pyridin-3-yloxyphenyl)benzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-ethynylbenzamide;N-(3-cyano-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide
CID 161198907
3-bromo-N-[3-[ethyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337764
3-(1,1-difluoroethoxy)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)benzamide;2-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;N-[3-[ethyl(pyridin-3-yl)amino]-5-fluorophenyl]-3-ethynylbenzamide;3-ethynyl-N-[3-[methyl-[5-(trifluoromethyl)-3-pyridinyl]amino]phenyl]benzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-6-methylpyridine-2-carboxamide;N-(3-iodo-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;methane
CID 157356230
3-chloro-N-[3-[propyl(pyridin-3-yl)amino]phenyl]benzamide
CID 58337623
N-[3-chloro-5-[methyl(pyrimidin-5-yl)amino]phenyl]-3-ethynylbenzamide;N-[4-chloro-3-[pyrimidin-5-yl(trideuteriomethyl)amino]phenyl]-3-methylbenzamide;N-(3,4-difluoro-5-pyrimidin-5-yloxyphenyl)-3-methylbenzamide;N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-(3-fluoro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)-1,3-thiazole-4-carboxamide;methane
CID 159234077
2-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]-1-(3-methylphenyl)ethanone
CID 58337531
ethane;3-methyl-N-pyridin-3-ylbenzamide
CID 145409327
2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109264058
5-[butyl(methyl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109240367
N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-fluoropyridine-2-carboxamide;N-(3-chloro-5-pyridin-3-yloxyphenyl)-3-methylbenzamide;6-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide;3-ethynyl-N-(3-fluoro-5-pyridin-3-yloxyphenyl)benzamide;methane;3-methyl-N-[3-[(2-methyl-3-pyridinyl)oxy]phenyl]benzamide
CID 159968939

Frequently Asked Questions

What is the IUPAC name of N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane?
The IUPAC name of N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane (CID 162258801) is N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane.
What is the SMILES notation for N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane?
The canonical SMILES for N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane is C.C#Cc1cccc(C(=O)Nc2cc(F)cc(N(C)c3cccnc3)c2)c1.C#Cc1cccc(C(=O)Nc2cccc(N(CC)c3cccnc3)c2)c1.CCCCN(c1cccnc1)c1cccc(NC(=O)c2cccc(C)c2)c1.CCN(c1cccnc1)c1cccc(NC(=O)c2cccc(C)c2)c1.
What is the InChIKey of N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane?
The InChIKey is ZYYJWJNTPVUICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O.C22H19N3O.C21H16FN3O.C21H21N3O.CH4/c1-3-4-14-26(22-12-7-13-24-17-22)21-11-6-10-20(16-21)25-23(27)19-9-5-8-18(2)15-19;1-3-17-8-5-9-18(14-17)22(26)24-19-10-6-11-20(15-19)25(4-2)21-12-7-13-23-16-21;1-3-15-6-4-7-16(10-15)21(26)24-18-11-17(22)12-20(13-18)25(2)19-8-5-9-23-14-19;1-3-24(20-11-6-12-22-15-20)19-10-5-9-18(14-19)23-21(25)17-8-4-7-16(2)13-17;/h5-13,15-17H,3-4,14H2,1-2H3,(H,25,27);1,5-16H,4H2,2H3,(H,24,26);1,4-14H,2H3,(H,24,26);4-15H,3H2,1-2H3,(H,23,25);1H4.
What are the key properties of N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane?
N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane has a molecular weight of 1393.73 g/mol, XLogP of 19.71, 21 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[butyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-ethynylbenzamide;N-[3-[ethyl(pyridin-3-yl)amino]phenyl]-3-methylbenzamide;3-ethynyl-N-[3-fluoro-5-[methyl(pyridin-3-yl)amino]phenyl]benzamide;methane is sourced from PubChem (CID 162258801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).