4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine

C73H79ClN10O10 — CID 159651312

IUPAC4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine
SMILESC.C.C.C.C.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(NC(=O)c2ccccc2)cc1.Nc1cccnc1N.O=C(Cl)c1ccccc1.O=C(Nc1ccc(-c2nc3ncccc3[nH]2)cc1)c1ccccc1.O=C(O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14N4O.C15H13NO3.C14H11NO3.C8H9NO2.C7H5ClO.C5H7N3.5CH4/c24-19(14-5-2-1-3-6-14)21-15-10-8-13(9-11-15)17-22-16-7-4-12-20-18(16)23-17;1-19-15(18)12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11;16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18;1-11-8(10)6-2-4-7(9)5-3-6;8-7(9)6-4-2-1-3-5-6;6-4-2-1-3-8-5(4)7;;;;;/h1-12H,(H,21,24)(H,20,22,23);2-10H,1H3,(H,16,17);1-9H,(H,15,16)(H,17,18);2-5H,9H2,1H3;1-5H;1-3H,6H2,(H2,7,8);5*1H4
InChIKeyMRPJCIRTIGYHMG-UHFFFAOYSA-N
MW1291.95 g/mol
LogP15.79
Rot. Bonds11

About 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine

4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine (PubChem CID 159651312) has the molecular formula C73H79ClN10O10 and a molecular weight of 1291.95 g/mol. Its IUPAC name is 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine.

Molecular Properties

Compound Name4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine
PubChem CID159651312
Molecular FormulaC73H79ClN10O10
Molecular Weight1291.95 g/mol
Exact Mass1290.57
IUPAC Name4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine
SMILESC.C.C.C.C.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(NC(=O)c2ccccc2)cc1.Nc1cccnc1N.O=C(Cl)c1ccccc1.O=C(Nc1ccc(-c2nc3ncccc3[nH]2)cc1)c1ccccc1.O=C(O)c1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C19H14N4O.C15H13NO3.C14H11NO3.C8H9NO2.C7H5ClO.C5H7N3.5CH4/c24-19(14-5-2-1-3-6-14)21-15-10-8-13(9-11-15)17-22-16-7-4-12-20-18(16)23-17;1-19-15(18)12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11;16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18;1-11-8(10)6-2-4-7(9)5-3-6;8-7(9)6-4-2-1-3-5-6;6-4-2-1-3-8-5(4)7;;;;;/h1-12H,(H,21,24)(H,20,22,23);2-10H,1H3,(H,16,17);1-9H,(H,15,16)(H,17,18);2-5H,9H2,1H3;1-5H;1-3H,6H2,(H2,7,8);5*1H4
InChIKeyMRPJCIRTIGYHMG-UHFFFAOYSA-N
XLogP15.79
TPSA326.79 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001291.95
LogP ≤ 515.79
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine with MolForge

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Related Compounds

Ethyl 4-[[2-[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]acetyl]amino]benzoate
CID 16022221
methyl 1-[5-[3-[[2-[3-(dimethylamino)propyl]-3H-benzimidazole-5-carbonyl]amino]phenyl]-2-pyridinyl]-2-methylbenzimidazole-5-carboxylate
CID 137632770
methyl 2-methyl-1-[5-[3-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]phenyl]-2-pyridinyl]benzimidazole-5-carboxylate
CID 137636725
4-(4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzamido)-3-fluorobenzoic acid
CID 176268133
4-[6-(3-fluoro-pyridin-4-yl)-5-pyridin-3-yl-3H-imidazo[4,5-b]pyridin-2-ylamino]-benzoic acid ethyl ester
CID 59595955
Methyl 4-[[5-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]pyridine-2-carbonyl]amino]-3-fluorobenzoate
CID 176267978
Methyl 4-[[4-[2-(2-amino-3-pyridinyl)-5-phenylimidazo[4,5-b]pyridin-3-yl]benzoyl]amino]-3-fluorobenzoate
CID 176268199
4-((2-(4-(2-((4-(5-((lambda2-Azaneylidene)-lambda3-methyl)pyridin-2-yl)phenyl)methoxy)ethyl)phenyl)imidazo[1,2-a]pyridin-3-yl)amino)benzoic acid
CID 175664950
Ethyl 4-(4-{3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-B]pyridin-2-YL}butanamido)benzoate
CID 46360192
1-(1H-benzimidazol-2-ylmethyl)-4-({[4-(ethoxycarbonyl)phenyl]amino}carbonyl)pyridinium chloride
CID 2851091
Ethyl 4-(3-{3-phenyl-3H-imidazo[4,5-B]pyridin-2-YL}propanamido)benzoate
CID 20867532
Methyl 4-[3-(3-phenylimidazo[4,5-b]pyridin-2-yl)propanoylamino]benzoate
CID 20867533

Frequently Asked Questions

What is the IUPAC name of 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine?
The IUPAC name of 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine (CID 159651312) is 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine.
What is the SMILES notation for 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine?
The canonical SMILES for 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine is C.C.C.C.C.COC(=O)c1ccc(N)cc1.COC(=O)c1ccc(NC(=O)c2ccccc2)cc1.Nc1cccnc1N.O=C(Cl)c1ccccc1.O=C(Nc1ccc(-c2nc3ncccc3[nH]2)cc1)c1ccccc1.O=C(O)c1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine?
The InChIKey is MRPJCIRTIGYHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O.C15H13NO3.C14H11NO3.C8H9NO2.C7H5ClO.C5H7N3.5CH4/c24-19(14-5-2-1-3-6-14)21-15-10-8-13(9-11-15)17-22-16-7-4-12-20-18(16)23-17;1-19-15(18)12-7-9-13(10-8-12)16-14(17)11-5-3-2-4-6-11;16-13(10-4-2-1-3-5-10)15-12-8-6-11(7-9-12)14(17)18;1-11-8(10)6-2-4-7(9)5-3-6;8-7(9)6-4-2-1-3-5-6;6-4-2-1-3-8-5(4)7;;;;;/h1-12H,(H,21,24)(H,20,22,23);2-10H,1H3,(H,16,17);1-9H,(H,15,16)(H,17,18);2-5H,9H2,1H3;1-5H;1-3H,6H2,(H2,7,8);5*1H4.
What are the key properties of 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine?
4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine has a molecular weight of 1291.95 g/mol, XLogP of 15.79, 11 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzamidobenzoic acid;benzoyl chloride;N-[4-(1H-imidazo[4,5-b]pyridin-2-yl)phenyl]benzamide;methane;methyl 4-aminobenzoate;methyl 4-benzamidobenzoate;pyridine-2,3-diamine is sourced from PubChem (CID 159651312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).