N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

C21H26N4O — CID 112502757

IUPACN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCC3)CC2)cc1)c1ccncc1
InChIInChI=1S/C21H26N4O/c26-21(17-9-11-22-12-10-17)23-18-5-7-20(8-6-18)25-15-13-24(14-16-25)19-3-1-2-4-19/h5-12,19H,1-4,13-16H2,(H,23,26)
InChIKeyMJQJWISSCMTVLS-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide

N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (PubChem CID 112502757) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
PubChem CID112502757
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCN(C3CCCC3)CC2)cc1)c1ccncc1
InChIInChI=1S/C21H26N4O/c26-21(17-9-11-22-12-10-17)23-18-5-7-20(8-6-18)25-15-13-24(14-16-25)19-3-1-2-4-19/h5-12,19H,1-4,13-16H2,(H,23,26)
InChIKeyMJQJWISSCMTVLS-UHFFFAOYSA-N
XLogP3.40
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-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-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
4-(4-cyclohexylpiperazin-1-yl)benzohydrazide
CID 20655195
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-methylpropanamide
CID 112502772
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 112502775
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 110621034
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]-2-(oxan-2-yl)acetamide
CID 110621036
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 71762286
ethyl 2-[4-(4-cyclopentylpiperazin-1-yl)anilino]-2-oxoacetate
CID 112502760
1-[4-(4-cyclopropylpiperazin-1-yl)phenyl]-3-phenylurea
CID 110288066
N-[4-(4-cyclohexylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
CID 112502781
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide (CID 112502757) is N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is O=C(Nc1ccc(N2CCN(C3CCCC3)CC2)cc1)c1ccncc1.
What is the InChIKey of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
The InChIKey is MJQJWISSCMTVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(17-9-11-22-12-10-17)23-18-5-7-20(8-6-18)25-15-13-24(14-16-25)19-3-1-2-4-19/h5-12,19H,1-4,13-16H2,(H,23,26).
What are the key properties of N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide?
N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyclopentylpiperazin-1-yl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 112502757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).