N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide

C24H26N4O — CID 109169913

IUPACN-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(N3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C24H26N4O/c1-19-7-9-20(10-8-19)18-26-24(29)21-11-12-25-23(17-21)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,26,29)
InChIKeyXHVZYLDIIUNPAO-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.65
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide

N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109169913) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109169913
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2ccnc(N3CCN(c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C24H26N4O/c1-19-7-9-20(10-8-19)18-26-24(29)21-11-12-25-23(17-21)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,26,29)
InChIKeyXHVZYLDIIUNPAO-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169442
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916
N-benzyl-3-[[4-(4-methylphenyl)piperazin-1-yl]methyl]benzamide
CID 83288344
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
N-[(4-methylphenyl)methyl]-3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)benzamide
CID 15996919
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208236
2-imidazol-1-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyridine-4-carboxamide
CID 51085922
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109256107
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-benzyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109209654
N-[(4-fluorophenyl)methyl]-4-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109211394
N-[[3-[4-[(4-methylphenyl)methyl]piperazin-1-yl]phenyl]methyl]benzamide
CID 23108907

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide (CID 109169913) is N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide is Cc1ccc(CNC(=O)c2ccnc(N3CCN(c4ccccc4)CC3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is XHVZYLDIIUNPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-19-7-9-20(10-8-19)18-26-24(29)21-11-12-25-23(17-21)28-15-13-27(14-16-28)22-5-3-2-4-6-22/h2-12,17H,13-16,18H2,1H3,(H,26,29).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide?
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109169913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).