(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide

C34H31N3O2 — CID 175481209

IUPAC(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
SMILESCc1cc(=O)n(C)cc1-c1ccc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H31N3O2/c1-23-21-31(38)37(2)22-30(23)26-15-13-24(14-16-26)25-17-19-29(20-18-25)36-34(39)33(35)32(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-22,32-33H,35H2,1-2H3,(H,36,39)/t33-/m0/s1
InChIKeySHCYBTBQGOGJPE-XIFFEERXSA-N
MW513.64 g/mol
LogP6.13
Rot. Bonds7

About (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide

(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide (PubChem CID 175481209) has the molecular formula C34H31N3O2 and a molecular weight of 513.64 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
PubChem CID175481209
Molecular FormulaC34H31N3O2
Molecular Weight513.64 g/mol
Exact Mass513.24
IUPAC Name(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
SMILESCc1cc(=O)n(C)cc1-c1ccc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C34H31N3O2/c1-23-21-31(38)37(2)22-30(23)26-15-13-24(14-16-26)25-17-19-29(20-18-25)36-34(39)33(35)32(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-22,32-33H,35H2,1-2H3,(H,36,39)/t33-/m0/s1
InChIKeySHCYBTBQGOGJPE-XIFFEERXSA-N
XLogP6.13
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.64
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525780
(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525916
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-2-oxopyrimidin-5-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525840
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525726
(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
CID 167525715
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
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)-3-fluorophenyl]-3,3-diphenylpropanamide;dihydrochloride
CID 167525917
(2S)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 96522942
(2R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methoxy-2-phenylacetamide
CID 96522941
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
(2S)-2-amino-N-(1-methyl-6-oxo-3-pyridinyl)-4-phenylbutanamide
CID 104984023
1-(1,4-dimethyl-6-oxo-3-pyridinyl)-3-(1-phenylpent-4-enyl)urea
CID 75433377

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide (CID 175481209) is (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide is Cc1cc(=O)n(C)cc1-c1ccc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide?
The InChIKey is SHCYBTBQGOGJPE-XIFFEERXSA-N. The full InChI is InChI=1S/C34H31N3O2/c1-23-21-31(38)37(2)22-30(23)26-15-13-24(14-16-26)25-17-19-29(20-18-25)36-34(39)33(35)32(27-9-5-3-6-10-27)28-11-7-4-8-12-28/h3-22,32-33H,35H2,1-2H3,(H,36,39)/t33-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide?
(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide has a molecular weight of 513.64 g/mol, XLogP of 6.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 175481209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).