N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

C25H23N5O3 — CID 24981609

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C25H23N5O3/c1-29(17-23(31)27-19-10-12-21(33-2)13-11-19)25(32)22-16-30(20-8-4-3-5-9-20)28-24(22)18-7-6-14-26-15-18/h3-16H,17H2,1-2H3,(H,27,31)
InChIKeyWSGFIYIWICDEGD-UHFFFAOYSA-N
MW441.49 g/mol
LogP3.65
Rot. Bonds7

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 24981609) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID24981609
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1
InChIInChI=1S/C25H23N5O3/c1-29(17-23(31)27-19-10-12-21(33-2)13-11-19)25(32)22-16-30(20-8-4-3-5-9-20)28-24(22)18-7-6-14-26-15-18/h3-16H,17H2,1-2H3,(H,27,31)
InChIKeyWSGFIYIWICDEGD-UHFFFAOYSA-N
XLogP3.65
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Sebetralstat
CID 121365142
Feniralstat
CID 139301832
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
(S)-1-(4-fluorobenzyl)-N3-(4-methoxy-3,5-dimethylphenyl)-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3,7-dicarboxamide
CID 91864701
2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
N-(cyclohexylmethyl)-6-methoxy-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]amino}pyridine-2-carboxamide
CID 57780750
6-methoxy-N-(cyclobutylmethyl)-3-{[4-(1H-1,2,3-triazol-1-ylmethyl)-1-naphthoyl]-amino}pyridine-2-carboxamide
CID 57780760
4-Fluoro-3-(((5-(1-methyl-1H-pyrazol-3-yl)pyridin-3-yl)methyl)amino)-N-(3-(trifluoromethoxy)phenyl)benzamide
CID 145925694
N-{4-[(6-methoxypyrazolo[1,5-a]pyridine-3-carbonyl)amino]-3-methylphenyl}-1-methyl-1H-indazole-3-carboxamide
CID 139209093
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide (CID 24981609) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is WSGFIYIWICDEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-29(17-23(31)27-19-10-12-21(33-2)13-11-19)25(32)22-16-30(20-8-4-3-5-9-20)28-24(22)18-7-6-14-26-15-18/h3-16H,17H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 24981609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).