4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide

C23H26N6O3 — CID 127033507

IUPAC4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)20-8-7-16(15-25-20)26-23(31)21-18(9-10-24-22(21)30)27-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H2,24,27,30)
InChIKeyKWARNOGWLHQIKF-UHFFFAOYSA-N
MW434.50 g/mol
LogP2.53
Rot. Bonds6

About 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide

4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 127033507) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID127033507
Molecular FormulaC23H26N6O3
Molecular Weight434.50 g/mol
Exact Mass434.21
IUPAC Name4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)20-8-7-16(15-25-20)26-23(31)21-18(9-10-24-22(21)30)27-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H2,24,27,30)
InChIKeyKWARNOGWLHQIKF-UHFFFAOYSA-N
XLogP2.53
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

Way 100635
CID 5684
4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Fcway
CID 10048892
Mefway F-18
CID 11963740
[11C]Jway
CID 11834378
6-(ethylcarbamoylamino)-4-[(4-methoxyphenyl)amino]-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 89650975
WAY 100635 hydrochloride
CID 104911
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
1-[2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]-2,2-dimethylpropan-1-one
CID 10525639

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide (CID 127033507) is 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide is COc1ccccc1Nc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is KWARNOGWLHQIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-28-11-13-29(14-12-28)20-8-7-16(15-25-20)26-23(31)21-18(9-10-24-22(21)30)27-17-5-3-4-6-19(17)32-2/h3-10,15H,11-14H2,1-2H3,(H,26,31)(H2,24,27,30).
What are the key properties of 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide?
4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyanilino)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 127033507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).