N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide

C29H33ClN4O3 — CID 142690623

IUPACN-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide
SMILESCNCc1ccc(Cl)cc1CNC(=O)Cc1c(C)ccn(CCN(C(=O)C2CC2)c2ccccc2)c1=O
InChIInChI=1S/C29H33ClN4O3/c1-20-12-13-33(14-15-34(28(36)21-8-9-21)25-6-4-3-5-7-25)29(37)26(20)17-27(35)32-19-23-16-24(30)11-10-22(23)18-31-2/h3-7,10-13,16,21,31H,8-9,14-15,17-19H2,1-2H3,(H,32,35)
InChIKeyGZLYQHACBVGKTM-UHFFFAOYSA-N
MW521.06 g/mol
LogP3.83
Rot. Bonds11

About N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide

N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide (PubChem CID 142690623) has the molecular formula C29H33ClN4O3 and a molecular weight of 521.06 g/mol. Its IUPAC name is N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide
PubChem CID142690623
Molecular FormulaC29H33ClN4O3
Molecular Weight521.06 g/mol
Exact Mass520.22
IUPAC NameN-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide
SMILESCNCc1ccc(Cl)cc1CNC(=O)Cc1c(C)ccn(CCN(C(=O)C2CC2)c2ccccc2)c1=O
InChIInChI=1S/C29H33ClN4O3/c1-20-12-13-33(14-15-34(28(36)21-8-9-21)25-6-4-3-5-7-25)29(37)26(20)17-27(35)32-19-23-16-24(30)11-10-22(23)18-31-2/h3-7,10-13,16,21,31H,8-9,14-15,17-19H2,1-2H3,(H,32,35)
InChIKeyGZLYQHACBVGKTM-UHFFFAOYSA-N
XLogP3.83
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.06
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide 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

N-[2-[5-[2-[[2-(aminomethyl)-5-chlorophenyl]methylamino]-2-oxoethyl]-4-methyl-6-oxopyridazin-1-yl]ethyl]-N-phenylcyclopropanecarboxamide
CID 142690649
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-methyl-1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690658
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-2-oxo-1-(2-pyrazol-1-ylethyl)-3-pyridinyl]acetamide
CID 142690753
tert-butyl N-[[2-[[[2-[1-[2-(benzenesulfonyl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]-4-chlorophenyl]methyl]carbamate
CID 142690584
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetamide
CID 142690673
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(3-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690766
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[4-cyano-2-oxo-1-(2-pyridin-2-ylethyl)-3-pyridinyl]acetamide
CID 142690586
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-2-[4-methyl-1-[2-(4-methylpyrazol-1-yl)ethyl]-2-oxo-3-pyridinyl]acetamide
CID 142690349
tert-butyl N-[[4-chloro-2-[[[2-[1-[2-(2,4-dimethylpyrrol-1-yl)ethyl]-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142690671
tert-butyl N-[[2-[[[2-[1-(benzenesulfonylmethyl)-4-methyl-2-oxo-3-pyridinyl]acetyl]amino]methyl]-4-chlorophenyl]methyl]carbamate
CID 142690488
N-[[5-chloro-2-(methylaminomethyl)phenyl]methyl]-2-[5-methyl-3-oxo-2-(2-pyrazol-1-ylethyl)pyridazin-4-yl]acetamide
CID 142690440
tert-butyl N-[[4-chloro-2-[[[2-[4-methyl-1-[2-(1,3-oxazol-4-yl)ethyl]-2-oxo-3-pyridinyl]acetyl]amino]methyl]phenyl]methyl]carbamate
CID 142690478

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide?
The IUPAC name of N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide (CID 142690623) is N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide.
What is the SMILES notation for N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide?
The canonical SMILES for N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide is CNCc1ccc(Cl)cc1CNC(=O)Cc1c(C)ccn(CCN(C(=O)C2CC2)c2ccccc2)c1=O.
What is the InChIKey of N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide?
The InChIKey is GZLYQHACBVGKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33ClN4O3/c1-20-12-13-33(14-15-34(28(36)21-8-9-21)25-6-4-3-5-7-25)29(37)26(20)17-27(35)32-19-23-16-24(30)11-10-22(23)18-31-2/h3-7,10-13,16,21,31H,8-9,14-15,17-19H2,1-2H3,(H,32,35).
What are the key properties of N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide?
N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide has a molecular weight of 521.06 g/mol, XLogP of 3.83, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[2-[[5-chloro-2-(methylaminomethyl)phenyl]methylamino]-2-oxoethyl]-4-methyl-2-oxo-1-pyridinyl]ethyl]-N-phenylcyclopropanecarboxamide is sourced from PubChem (CID 142690623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).