2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide

C32H29N5O3 — CID 170001092

IUPAC2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(=O)[nH]cc1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H29N5O3/c1-21-19-28(38)33-20-26(21)22-13-15-25(16-14-22)35-32(40)30(36-31(39)27-17-18-34-37(27)2)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,29-30H,1-2H3,(H,33,38)(H,35,40)(H,36,39)
InChIKeyGGEXFQQRSIQSCX-UHFFFAOYSA-N
MW531.62 g/mol
LogP4.65
Rot. Bonds8

About 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide

2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide (PubChem CID 170001092) has the molecular formula C32H29N5O3 and a molecular weight of 531.62 g/mol. Its IUPAC name is 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide
PubChem CID170001092
Molecular FormulaC32H29N5O3
Molecular Weight531.62 g/mol
Exact Mass531.23
IUPAC Name2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide
SMILESCc1cc(=O)[nH]cc1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H29N5O3/c1-21-19-28(38)33-20-26(21)22-13-15-25(16-14-22)35-32(40)30(36-31(39)27-17-18-34-37(27)2)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,29-30H,1-2H3,(H,33,38)(H,35,40)(H,36,39)
InChIKeyGGEXFQQRSIQSCX-UHFFFAOYSA-N
XLogP4.65
TPSA108.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.62
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-(3-fluoro-4-pyridinyl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 162362369
2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide
CID 170000816
N-[(2S)-1-[3-fluoro-4-(6-oxo-1H-pyridazin-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 162362444
N-[1-[3-fluoro-4-(4-oxo-3,5-dihydroimidazo[4,5-c]pyridin-7-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168846690
N-[(2S)-1-[4-(3,5-dimethyl-1H-pyrazol-4-yl)-3-hydroxyanilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 156779224
N-[(2S)-1-[4-(1-benzyl-3,5-dimethylpyrazol-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 167525782
N-[(2S)-1-[3-fluoro-4-(2-oxo-3,4-dihydro-1H-pyrimidin-5-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 168862323
N-[(2S)-1-[4-(1-benzyl-6-oxo-2-pyridinyl)-3-fluoroanilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 167525909
N-[1-[3-methoxy-4-[3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 175155608
N-[1-cyclopropyl-3-[4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-3-oxo-1-phenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
CID 154944185
butoxy-[[3,5-dimethyl-4-[4-[[(2S)-2-[(2-methylpyrazole-3-carbonyl)amino]-3,3-diphenylpropanoyl]amino]phenyl]pyrazol-1-yl]methoxy]-hydroxy-[(2-methylpropan-2-yl)oxy]phosphanium
CID 163511812
(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
CID 175481209

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide (CID 170001092) is 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide is Cc1cc(=O)[nH]cc1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide?
The InChIKey is GGEXFQQRSIQSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N5O3/c1-21-19-28(38)33-20-26(21)22-13-15-25(16-14-22)35-32(40)30(36-31(39)27-17-18-34-37(27)2)29(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-20,29-30H,1-2H3,(H,33,38)(H,35,40)(H,36,39).
What are the key properties of 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide?
2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide has a molecular weight of 531.62 g/mol, XLogP of 4.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[4-(4-methyl-6-oxo-1H-pyridin-3-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 170001092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).