N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

C23H22ClN5O2 — CID 78886067

IUPACN-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl
InChIInChI=1S/C23H22ClN5O2/c24-20-14-16(8-9-18(20)22(30)27-15-17-6-1-2-10-25-17)28-23(31)19-7-5-11-26-21(19)29-12-3-4-13-29/h1-2,5-11,14H,3-4,12-13,15H2,(H,27,30)(H,28,31)
InChIKeyOWQSNIKVTRWYNY-UHFFFAOYSA-N
MW435.92 g/mol
LogP3.91
Rot. Bonds6

About N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 78886067) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID78886067
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl
InChIInChI=1S/C23H22ClN5O2/c24-20-14-16(8-9-18(20)22(30)27-15-17-6-1-2-10-25-17)28-23(31)19-7-5-11-26-21(19)29-12-3-4-13-29/h1-2,5-11,14H,3-4,12-13,15H2,(H,27,30)(H,28,31)
InChIKeyOWQSNIKVTRWYNY-UHFFFAOYSA-N
XLogP3.91
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide 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-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39584681
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-[(2,4-dichlorophenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 9403592
2-chloro-4-[(3-cyanobenzoyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 87001678
2-chloro-4-[1-(2-oxopyrrolidin-1-yl)propan-2-ylcarbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 47050942
2-chloro-4-[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]-N-(pyridin-2-ylmethyl)benzamide
CID 52504403
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
2-chloro-4-[(2-phenylmethoxyacetyl)amino]-N-(pyridin-2-ylmethyl)benzamide
CID 112833812
2-chloro-4-[[cyclopropyl(3-methylbutyl)carbamoyl]amino]-N-(pyridin-2-ylmethyl)benzamide
CID 47042298
2-chloro-4-fluoro-N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]benzamide
CID 55783783
2-pyrrolidin-1-yl-N-(2H-triazol-4-ylmethyl)pyridine-3-carboxamide
CID 75512496
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 78886067) is N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(NCc1ccccn1)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is OWQSNIKVTRWYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c24-20-14-16(8-9-18(20)22(30)27-15-17-6-1-2-10-25-17)28-23(31)19-7-5-11-26-21(19)29-12-3-4-13-29/h1-2,5-11,14H,3-4,12-13,15H2,(H,27,30)(H,28,31).
What are the key properties of N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(pyridin-2-ylmethylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 78886067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).