(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

C28H27N3O — CID 167525780

IUPAC(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCc1cc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2)c(C)cn1
InChIInChI=1S/C28H27N3O/c1-19-18-30-20(2)17-25(19)21-13-15-24(16-14-21)31-28(32)27(29)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18,26-27H,29H2,1-2H3,(H,31,32)/t27-/m0/s1
InChIKeyMJANLNNSVSGCOT-MHZLTWQESA-N
MW421.54 g/mol
LogP5.46
Rot. Bonds6

About (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide

(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (PubChem CID 167525780) has the molecular formula C28H27N3O and a molecular weight of 421.54 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
PubChem CID167525780
Molecular FormulaC28H27N3O
Molecular Weight421.54 g/mol
Exact Mass421.22
IUPAC Name(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
SMILESCc1cc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2)c(C)cn1
InChIInChI=1S/C28H27N3O/c1-19-18-30-20(2)17-25(19)21-13-15-24(16-14-21)31-28(32)27(29)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18,26-27H,29H2,1-2H3,(H,31,32)/t27-/m0/s1
InChIKeyMJANLNNSVSGCOT-MHZLTWQESA-N
XLogP5.46
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)-3-fluorophenyl]-3,3-diphenylpropanamide;dihydrochloride
CID 167525917
(2S)-2-amino-N-[4-(3-methyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525916
(2S)-2-amino-N-[4-[4-(1,4-dimethyl-6-oxo-3-pyridinyl)phenyl]phenyl]-3,3-diphenylpropanamide
CID 175481209
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-2-oxopyrimidin-5-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525840
(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
CID 167525715
(6-methyl-4-phenyl-3-pyridinyl)carbamic acid
CID 118392353
(2S)-2-amino-N-[3-fluoro-4-(3-fluoro-5-methoxy-4-pyridinyl)phenyl]-3,3-diphenylpropanamide
CID 167525844
2-hydroxy-N-(4-methylphenyl)-2-phenylacetamide
CID 3709657
(2S)-2-amino-N-[3-fluoro-4-(1-methyl-6-oxopyridazin-3-yl)phenyl]-3,3-diphenylpropanamide;hydrochloride
CID 167525726
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide (CID 167525780) is (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is Cc1cc(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)cc2)c(C)cn1.
What is the InChIKey of (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
The InChIKey is MJANLNNSVSGCOT-MHZLTWQESA-N. The full InChI is InChI=1S/C28H27N3O/c1-19-18-30-20(2)17-25(19)21-13-15-24(16-14-21)31-28(32)27(29)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-18,26-27H,29H2,1-2H3,(H,31,32)/t27-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide?
(2S)-2-amino-N-[4-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide has a molecular weight of 421.54 g/mol, XLogP of 5.46, 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-(2,5-dimethyl-4-pyridinyl)phenyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 167525780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).