N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

C25H28N4O3 — CID 53180625

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCNC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C25H28N4O3/c1-31-22-11-10-18(15-23(22)32-2)16-28-25(30)20-9-6-12-27-24(20)29-14-13-26-21(17-29)19-7-4-3-5-8-19/h3-12,15,21,26H,13-14,16-17H2,1-2H3,(H,28,30)
InChIKeyHJECWEZVYIHRSJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.18
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 53180625) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID53180625
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCNC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C25H28N4O3/c1-31-22-11-10-18(15-23(22)32-2)16-28-25(30)20-9-6-12-27-24(20)29-14-13-26-21(17-29)19-7-4-3-5-8-19/h3-12,15,21,26H,13-14,16-17H2,1-2H3,(H,28,30)
InChIKeyHJECWEZVYIHRSJ-UHFFFAOYSA-N
XLogP3.18
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
2-[(3S)-3-phenylpiperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 95104807
N-phenyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104876
N,N-diethyl-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95104870
2-pyrrolidin-1-yl-N-[(3,4,5-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 17482313
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106
2-[3-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]pyridine-3-carboxamide;hydrochloride
CID 145196100
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(4-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084367
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
[4-(3-methylphenyl)piperazin-1-yl]-[2-[(3S)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95104857
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 46084251

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide (CID 53180625) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2cccnc2N2CCNC(c3ccccc3)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is HJECWEZVYIHRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-22-11-10-18(15-23(22)32-2)16-28-25(30)20-9-6-12-27-24(20)29-14-13-26-21(17-29)19-7-4-3-5-8-19/h3-12,15,21,26H,13-14,16-17H2,1-2H3,(H,28,30).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 53180625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).