6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide

C23H24N4O — CID 109159539

IUPAC6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N4O/c28-23(25-21-9-5-2-6-10-21)20-11-12-22(24-17-20)27-15-13-26(14-16-27)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,25,28)
InChIKeyXTWOKUQMXPVJFY-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.66
Rot. Bonds5

About 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide

6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide (PubChem CID 109159539) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
PubChem CID109159539
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C23H24N4O/c28-23(25-21-9-5-2-6-10-21)20-11-12-22(24-17-20)27-15-13-26(14-16-27)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,25,28)
InChIKeyXTWOKUQMXPVJFY-UHFFFAOYSA-N
XLogP3.66
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 42857527
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857364
N-[6-[4-(furan-3-ylmethyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857358
tert-butyl N-[2-[[6-(4-benzylpiperazin-1-yl)pyridine-3-carbonyl]amino]phenyl]carbamate;tert-butyl N-[2-[(6-chloropyridine-3-carbonyl)amino]phenyl]carbamate
CID 158182406
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[6-(4-benzyl-1,4-diazepan-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 46053831
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734

Frequently Asked Questions

What is the IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
The IUPAC name of 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide (CID 109159539) is 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
The InChIKey is XTWOKUQMXPVJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c28-23(25-21-9-5-2-6-10-21)20-11-12-22(24-17-20)27-15-13-26(14-16-27)18-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2,(H,25,28).
What are the key properties of 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide?
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109159539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).