2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

C25H26N4O4 — CID 53094094

IUPAC2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCOc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4C)cc3C(=O)O)CC2)c1
InChIInChI=1S/C25H26N4O4/c1-17-6-3-4-9-21(17)24(30)27-18-14-22(25(31)32)23(26-16-18)29-12-10-28(11-13-29)19-7-5-8-20(15-19)33-2/h3-9,14-16H,10-13H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyDJAJZSXRGNTNMF-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.68
Rot. Bonds6

About 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid

2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (PubChem CID 53094094) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
PubChem CID53094094
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
SMILESCOc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4C)cc3C(=O)O)CC2)c1
InChIInChI=1S/C25H26N4O4/c1-17-6-3-4-9-21(17)24(30)27-18-14-22(25(31)32)23(26-16-18)29-12-10-28(11-13-29)19-7-5-8-20(15-19)33-2/h3-9,14-16H,10-13H2,1-2H3,(H,27,30)(H,31,32)
InChIKeyDJAJZSXRGNTNMF-UHFFFAOYSA-N
XLogP3.68
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094208
5-[(2-methylbenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53094386
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-[(4-methoxybenzoyl)amino]pyridine-3-carboxylic acid
CID 53094147
5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 83289463
2-[(2-methylbenzoyl)amino]-5-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 50781891
N-(3-methoxyphenyl)-5-(4-phenylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109285572
N-(3,5-dimethoxyphenyl)-2-methylbenzamide
CID 9096893
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
2-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299391
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid (CID 53094094) is 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is COc1cccc(N2CCN(c3ncc(NC(=O)c4ccccc4C)cc3C(=O)O)CC2)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
The InChIKey is DJAJZSXRGNTNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-17-6-3-4-9-21(17)24(30)27-18-14-22(25(31)32)23(26-16-18)29-12-10-28(11-13-29)19-7-5-8-20(15-19)33-2/h3-9,14-16H,10-13H2,1-2H3,(H,27,30)(H,31,32).
What are the key properties of 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid?
2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid has a molecular weight of 446.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)piperazin-1-yl]-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53094094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).