3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide

C29H24ClN3O — CID 158433159

IUPAC3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1
InChIInChI=1S/C29H24ClN3O/c1-18-5-3-6-23(15-18)31-29(34)21-10-9-19(2)26(16-21)33-28-17-27(20-11-13-22(30)14-12-20)32-25-8-4-7-24(25)28/h3-7,9-17H,8H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyHBXDFXOYUMMGEM-UHFFFAOYSA-N
MW465.98 g/mol
LogP7.58
Rot. Bonds5

About 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide

3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide (PubChem CID 158433159) has the molecular formula C29H24ClN3O and a molecular weight of 465.98 g/mol. Its IUPAC name is 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide
PubChem CID158433159
Molecular FormulaC29H24ClN3O
Molecular Weight465.98 g/mol
Exact Mass465.16
IUPAC Name3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1
InChIInChI=1S/C29H24ClN3O/c1-18-5-3-6-23(15-18)31-29(34)21-10-9-19(2)26(16-21)33-28-17-27(20-11-13-22(30)14-12-20)32-25-8-4-7-24(25)28/h3-7,9-17H,8H2,1-2H3,(H,31,34)(H,32,33)
InChIKeyHBXDFXOYUMMGEM-UHFFFAOYSA-N
XLogP7.58
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methylphenyl)-3-(1-methyl-6-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)oxybenzamide;4-methyl-N-(3-methylphenyl)-3-(1-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyridin-4-yl)oxybenzamide;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-3-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide;4-methyl-N-(3-methylphenyl)-3-[(2-pyridin-4-yl-7H-cyclopenta[b]pyridin-4-yl)oxy]benzamide
CID 161347615
3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-N-(3-methylphenyl)benzamide
CID 164995255
N-(5-chloro-2-methylphenyl)-3-methylbenzamide
CID 686530
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
4-chloro-N-[3-[[(3-methylbenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126230741
2-(4-chloroanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313921
2-(5-chloro-2-methylanilino)-N-(3-chlorophenyl)pyrimidine-5-carboxamide
CID 109268708
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
N-(4-chlorophenyl)-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11281472
3-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 1234677
4-methyl-3-[(6-pyridin-4-ylthieno[2,3-b]pyridin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 146622218

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide (CID 158433159) is 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(C)c(Nc3cc(-c4ccc(Cl)cc4)nc4c3C=CC4)c2)c1.
What is the InChIKey of 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is HBXDFXOYUMMGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O/c1-18-5-3-6-23(15-18)31-29(34)21-10-9-19(2)26(16-21)33-28-17-27(20-11-13-22(30)14-12-20)32-25-8-4-7-24(25)28/h3-7,9-17H,8H2,1-2H3,(H,31,34)(H,32,33).
What are the key properties of 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide?
3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 465.98 g/mol, XLogP of 7.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-chlorophenyl)-7H-cyclopenta[b]pyridin-4-yl]amino]-4-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 158433159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).