N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

C24H26N4O — CID 109188154

IUPACN-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C24H26N4O/c1-19-7-5-6-8-20(19)17-26-24(29)23-12-11-22(18-25-23)28-15-13-27(14-16-28)21-9-3-2-4-10-21/h2-12,18H,13-17H2,1H3,(H,26,29)
InChIKeyBPTYKRBPGRFMPR-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.65
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109188154) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109188154
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cn1
InChIInChI=1S/C24H26N4O/c1-19-7-5-6-8-20(19)17-26-24(29)23-12-11-22(18-25-23)28-15-13-27(14-16-28)21-9-3-2-4-10-21/h2-12,18H,13-17H2,1H3,(H,26,29)
InChIKeyBPTYKRBPGRFMPR-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

5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
5-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190892
N-benzyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109187850
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188270
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066
4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109208557
N-[(2-methoxyphenyl)methyl]-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183440
1-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]ethanone
CID 83120198
5-(butan-2-ylamino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109181602

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 109188154) is N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is Cc1ccccc1CNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cn1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is BPTYKRBPGRFMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-19-7-5-6-8-20(19)17-26-24(29)23-12-11-22(18-25-23)28-15-13-27(14-16-28)21-9-3-2-4-10-21/h2-12,18H,13-17H2,1H3,(H,26,29).
What are the key properties of N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-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-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109188154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).