N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide

C20H24ClN5O — CID 87632091

IUPACN-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cl)c1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C20H24ClN5O/c21-26(20(27)16-4-3-8-22-15-16)19-14-18(7-9-23-19)25-12-10-24(11-13-25)17-5-1-2-6-17/h3-4,7-9,14-15,17H,1-2,5-6,10-13H2
InChIKeyKPBJGMJRJKGLJB-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.34
Rot. Bonds4

About N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide

N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 87632091) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID87632091
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC NameN-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(c1cccnc1)N(Cl)c1cc(N2CCN(C3CCCC3)CC2)ccn1
InChIInChI=1S/C20H24ClN5O/c21-26(20(27)16-4-3-8-22-15-16)19-14-18(7-9-23-19)25-12-10-24(11-13-25)17-5-1-2-6-17/h3-4,7-9,14-15,17H,1-2,5-6,10-13H2
InChIKeyKPBJGMJRJKGLJB-UHFFFAOYSA-N
XLogP3.34
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-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

cyclopentane;[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid
CID 69252651
[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]carbamic acid;cyclopropane
CID 69252851
N-[2-(1-cyclopentylpiperidin-4-yl)pyrazol-3-yl]pyridine-3-carboxamide
CID 25294061
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide
CID 58278026
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]butanamide
CID 11638272
(4-piperidin-1-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 57017149
N-[2-[(1-cyclopentylpiperidine-3-carbonyl)amino]ethyl]pyridine-3-carboxamide
CID 72909443
N-[2-[[(3S)-1-cyclopentylpiperidine-3-carbonyl]amino]ethyl]pyridine-3-carboxamide
CID 97203330
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]ethanone
CID 57442873
(4-cyclohexylpiperazin-1-yl)-(6-pyridin-3-yl-3-pyridinyl)methanone
CID 53149742
N-cyclopentylpyridine-3-carboxamide
CID 805532

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide (CID 87632091) is N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide is O=C(c1cccnc1)N(Cl)c1cc(N2CCN(C3CCCC3)CC2)ccn1.
What is the InChIKey of N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is KPBJGMJRJKGLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-26(20(27)16-4-3-8-22-15-16)19-14-18(7-9-23-19)25-12-10-24(11-13-25)17-5-1-2-6-17/h3-4,7-9,14-15,17H,1-2,5-6,10-13H2.
What are the key properties of N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide?
N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[4-(4-cyclopentylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 87632091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).