N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

C21H25FN4O — CID 109182203

IUPACN-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H25FN4O/c22-16-5-7-18(8-6-16)25-11-13-26(14-12-25)19-9-10-20(23-15-19)21(27)24-17-3-1-2-4-17/h5-10,15,17H,1-4,11-14H2,(H,24,27)
InChIKeyGWVOXLACCPGCQE-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.22
Rot. Bonds4

About N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide

N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 109182203) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID109182203
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC NameN-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCC1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C21H25FN4O/c22-16-5-7-18(8-6-16)25-11-13-26(14-12-25)19-9-10-20(23-15-19)21(27)24-17-3-1-2-4-17/h5-10,15,17H,1-4,11-14H2,(H,24,27)
InChIKeyGWVOXLACCPGCQE-UHFFFAOYSA-N
XLogP3.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109182978
N-cyclohexyl-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109182962
N-cyclopropyl-5-morpholin-4-ylpyridine-2-carboxamide
CID 109179845
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-cyclohexyl-5-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109182937
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 109182203) is N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is O=C(NC1CCCC1)c1ccc(N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is GWVOXLACCPGCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-16-5-7-18(8-6-16)25-11-13-26(14-12-25)19-9-10-20(23-15-19)21(27)24-17-3-1-2-4-17/h5-10,15,17H,1-4,11-14H2,(H,24,27).
What are the key properties of N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide?
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 109182203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).