(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

C27H25N3O — CID 167525916

IUPAC(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCc1cnccc1-c1ccc(NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O/c1-19-18-29-17-16-24(19)20-12-14-23(15-13-20)30-27(31)26(28)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,25-26H,28H2,1H3,(H,30,31)/t26-/m0/s1
InChIKeyLXFPDNKVESWHDI-SANMLTNESA-N
MW407.52 g/mol
LogP5.15
Rot. Bonds6

About (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (PubChem CID 167525916) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
PubChem CID167525916
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCc1cnccc1-c1ccc(NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H25N3O/c1-19-18-29-17-16-24(19)20-12-14-23(15-13-20)30-27(31)26(28)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,25-26H,28H2,1H3,(H,30,31)/t26-/m0/s1
InChIKeyLXFPDNKVESWHDI-SANMLTNESA-N
XLogP5.15
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
CID 175481209
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)-3-fluorophenyl]-3,3-diphenylpropanamide;dihydrochloride
CID 167525917
(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525844
tert-butyl N-[(2S)-1-[4-[3-(dimethylamino)-4-pyridinyl]anilino]-1-oxo-3,3-diphenylpropan-2-yl]carbamate
CID 167525737
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-2-oxopyrimidin-5-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525840
2-methyl-N-[1-oxo-3,3-diphenyl-1-[4-[3-(trifluoromethyl)-4-pyridinyl]anilino]propan-2-yl]pyrazole-3-carboxamide
CID 170000816
(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
CID 167525715
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
tert-butyl N-[(2S)-1-oxo-1-[4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-4-pyridinyl]anilino]-3,3-diphenylpropan-2-yl]carbamate
CID 167525760
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525726
5-(3-methyl-4-pyridinyl)pyridine-2-carboxylic acid
CID 66277953

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (CID 167525916) is (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is Cc1cnccc1-c1ccc(NC(=O)[C@@H](N)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is LXFPDNKVESWHDI-SANMLTNESA-N. The full InChI is InChI=1S/C27H25N3O/c1-19-18-29-17-16-24(19)20-12-14-23(15-13-20)30-27(31)26(28)25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-18,25-26H,28H2,1H3,(H,30,31)/t26-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 407.52 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 167525916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).