N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide

C29H28ClN3O2 — CID 91254782

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2C2=C/N=C\C=C(C)CC2)cc1Cl
InChIInChI=1S/C29H28ClN3O2/c1-19-4-6-23(17-31-11-10-19)25-8-7-22(24-12-20(2)15-32-18-24)14-26(25)29(34)33-16-21-5-9-28(35-3)27(30)13-21/h5,7-15,17-18H,4,6,16H2,1-3H3,(H,33,34)/b19-10?,23-17?,31-11-
InChIKeyXAOJJIGCDUAPOU-FKNXQPSLSA-N
MW486.02 g/mol
LogP6.80
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide

N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide (PubChem CID 91254782) has the molecular formula C29H28ClN3O2 and a molecular weight of 486.02 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide
PubChem CID91254782
Molecular FormulaC29H28ClN3O2
Molecular Weight486.02 g/mol
Exact Mass485.19
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2C2=C/N=C\C=C(C)CC2)cc1Cl
InChIInChI=1S/C29H28ClN3O2/c1-19-4-6-23(17-31-11-10-19)25-8-7-22(24-12-20(2)15-32-18-24)14-26(25)29(34)33-16-21-5-9-28(35-3)27(30)13-21/h5,7-15,17-18H,4,6,16H2,1-3H3,(H,33,34)/b19-10?,23-17?,31-11-
InChIKeyXAOJJIGCDUAPOU-FKNXQPSLSA-N
XLogP6.80
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.02
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-amino-3-methyliminoprop-1-en-2-yl)-N-[[4-methoxy-3-(trifluoromethyl)phenyl]methyl]-5-(5-methyl-3-pyridinyl)benzamide
CID 173282270
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 177460304
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
2-[acetyl(pyrrolidin-1-yl)amino]-5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]benzamide
CID 70339796
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(cyclohexanecarbonylamino)-5-methylthiophene-3-carboxamide
CID 70086267
3-[(3-chloro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163377
N-[(3-chloro-4-methoxyphenyl)methyl]-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 171679231
N-benzyl-5-(3,5-dimethylphenyl)-2-pyridin-3-ylbenzamide
CID 91363537
ethyl 4-[[4-bromo-2-[(3-chloro-4-methoxyphenyl)methylcarbamoyl]-5-methoxyphenyl]carbamoyl]cyclohexane-1-carboxylate
CID 142632889
3-chloro-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6472060
2-methoxy-5-phenyl-N-(pyridin-4-ylmethyl)benzamide
CID 110410764

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide (CID 91254782) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ccc2C2=C/N=C\C=C(C)CC2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide?
The InChIKey is XAOJJIGCDUAPOU-FKNXQPSLSA-N. The full InChI is InChI=1S/C29H28ClN3O2/c1-19-4-6-23(17-31-11-10-19)25-8-7-22(24-12-20(2)15-32-18-24)14-26(25)29(34)33-16-21-5-9-28(35-3)27(30)13-21/h5,7-15,17-18H,4,6,16H2,1-3H3,(H,33,34)/b19-10?,23-17?,31-11-.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide?
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide has a molecular weight of 486.02 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-2-(6-methyl-4,5-dihydroazocin-3-yl)-5-(5-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 91254782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).