N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide

C24H26N4O2 — CID 53180843

IUPACN-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C24H26N4O2/c1-30-22-12-6-5-10-19(22)16-26-24(29)20-11-7-13-23(27-20)28-15-14-25-21(17-28)18-8-3-2-4-9-18/h2-13,21,25H,14-17H2,1H3,(H,26,29)
InChIKeyAZMCXODAGDHFOG-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.17
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 53180843) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID53180843
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C24H26N4O2/c1-30-22-12-6-5-10-19(22)16-26-24(29)20-11-7-13-23(27-20)28-15-14-25-21(17-28)18-8-3-2-4-9-18/h2-13,21,25H,14-17H2,1H3,(H,26,29)
InChIKeyAZMCXODAGDHFOG-UHFFFAOYSA-N
XLogP3.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-[(3S)-3-phenylpiperazin-1-yl]pyridine-2-carbonyl]piperazine-1-carboxylate
CID 95105244
N-(2-methoxyphenyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104934
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-2-carboxamide
CID 95105227
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
[2-methyl-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 58207469
[2-methyl-5-(1H-pyrrol-3-yl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone
CID 159888989
6-N-benzyl-2-N-[(2-methoxyphenyl)methyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109097655
6-N-ethyl-2-N-[(2-methoxyphenyl)methyl]-6-N-phenylpyridine-2,6-dicarboxamide
CID 109097988
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
2-N,6-N-bis[(2-hydroxy-3-methoxyphenyl)methyl]pyridine-2,6-dicarboxamide
CID 155884619
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 53180843) is N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide is COc1ccccc1CNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is AZMCXODAGDHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-30-22-12-6-5-10-19(22)16-26-24(29)20-11-7-13-23(27-20)28-15-14-25-21(17-28)18-8-3-2-4-9-18/h2-13,21,25H,14-17H2,1H3,(H,26,29).
What are the key properties of N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 53180843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).