6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide

C21H26ClN3O — CID 44570120

IUPAC6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1
InChIInChI=1S/C21H26ClN3O/c1-14(2)18-11-20(25-17-9-5-8-16(22)10-17)23-13-19(18)21(26)24-12-15-6-3-4-7-15/h5,8-11,13-15H,3-4,6-7,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPGANSUZFUPXVME-UHFFFAOYSA-N
MW371.91 g/mol
LogP5.52
Rot. Bonds6

About 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide

6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide (PubChem CID 44570120) has the molecular formula C21H26ClN3O and a molecular weight of 371.91 g/mol. Its IUPAC name is 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
PubChem CID44570120
Molecular FormulaC21H26ClN3O
Molecular Weight371.91 g/mol
Exact Mass371.18
IUPAC Name6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1
InChIInChI=1S/C21H26ClN3O/c1-14(2)18-11-20(25-17-9-5-8-16(22)10-17)23-13-19(18)21(26)24-12-15-6-3-4-7-15/h5,8-11,13-15H,3-4,6-7,12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPGANSUZFUPXVME-UHFFFAOYSA-N
XLogP5.52
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.91
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-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

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Dipyridodiazepinone deriv. 15
CID 463144
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
3-(2,6-Dichlorophenyl)-7-{[3-(diethylamino)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328704
3-(2,6-Dichlorophenyl)-7-{[4-(diethylamino)butyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328705
3-(2,6-Dichlorophenyl)-7-{[5-(diethylamino)pentyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328706
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
6-amino-N-(2,4-dichlorobenzyl)nicotinamide
CID 45487830

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide (CID 44570120) is 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide is CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC1CCCC1.
What is the InChIKey of 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
The InChIKey is PGANSUZFUPXVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClN3O/c1-14(2)18-11-20(25-17-9-5-8-16(22)10-17)23-13-19(18)21(26)24-12-15-6-3-4-7-15/h5,8-11,13-15H,3-4,6-7,12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide?
6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide has a molecular weight of 371.91 g/mol, XLogP of 5.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44570120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).