N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide

C25H30N6O3 — CID 25191137

IUPACN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(NCCc3ccccn3)cc[nH]c2=O)cc1N1CCN(C)CC1
InChIInChI=1S/C25H30N6O3/c1-30-13-15-31(16-14-30)21-17-19(6-7-22(21)34-2)29-25(33)23-20(9-12-28-24(23)32)27-11-8-18-5-3-4-10-26-18/h3-7,9-10,12,17H,8,11,13-16H2,1-2H3,(H,29,33)(H2,27,28,32)
InChIKeyXOFLWTPDGPDZBB-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.44
Rot. Bonds8

About N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide (PubChem CID 25191137) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
PubChem CID25191137
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC NameN-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2c(NCCc3ccccn3)cc[nH]c2=O)cc1N1CCN(C)CC1
InChIInChI=1S/C25H30N6O3/c1-30-13-15-31(16-14-30)21-17-19(6-7-22(21)34-2)29-25(33)23-20(9-12-28-24(23)32)27-11-8-18-5-3-4-10-26-18/h3-7,9-10,12,17H,8,11,13-16H2,1-2H3,(H,29,33)(H2,27,28,32)
InChIKeyXOFLWTPDGPDZBB-UHFFFAOYSA-N
XLogP2.44
TPSA102.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridine-3-carboxamide
CID 25191516
[2-oxo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017639
[4-(ethylamino)-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017637
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-oxo-3-(pyridin-2-ylmethyl)quinazoline-7-carboxamide
CID 172878812
[4-[methyl(2-phenylethyl)amino]-2-oxo-1H-pyridin-3-yl] N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 67017684
4-[[4-(2-methoxyethyl)-3-pyridinyl]amino]-N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 171622575
4-fluoro-N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18940679
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-(5-pyridin-2-ylthiophen-2-yl)acetamide
CID 139711806
1-(1H-indol-4-yl)-3-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]urea
CID 22118884
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-[[3-(trifluoromethoxy)-2-pyridinyl]amino]-1H-pyridine-3-carboxamide
CID 171622784
1-(3,4-dimethoxyphenyl)-3-(2-pyridin-2-ylethyl)urea
CID 47032165

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide (CID 25191137) is N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide is COc1ccc(NC(=O)c2c(NCCc3ccccn3)cc[nH]c2=O)cc1N1CCN(C)CC1.
What is the InChIKey of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide?
The InChIKey is XOFLWTPDGPDZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O3/c1-30-13-15-31(16-14-30)21-17-19(6-7-22(21)34-2)29-25(33)23-20(9-12-28-24(23)32)27-11-8-18-5-3-4-10-26-18/h3-7,9-10,12,17H,8,11,13-16H2,1-2H3,(H,29,33)(H2,27,28,32).
What are the key properties of N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide?
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-2-oxo-4-(2-pyridin-2-ylethylamino)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 25191137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).