(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide

C27H26N4O2 — CID 167525715

IUPAC(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
SMILESCc1c(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)nc2)ccc(=O)n1C
InChIInChI=1S/C27H26N4O2/c1-18-22(14-16-24(32)31(18)2)21-13-15-23(29-17-21)30-27(33)26(28)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,25-26H,28H2,1-2H3,(H,29,30,33)/t26-/m0/s1
InChIKeyJKBQBHXQYWAYRY-SANMLTNESA-N
MW438.53 g/mol
LogP3.85
Rot. Bonds6

About (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide

(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide (PubChem CID 167525715) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
PubChem CID167525715
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide
SMILESCc1c(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)nc2)ccc(=O)n1C
InChIInChI=1S/C27H26N4O2/c1-18-22(14-16-24(32)31(18)2)21-13-15-23(29-17-21)30-27(33)26(28)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,25-26H,28H2,1-2H3,(H,29,30,33)/t26-/m0/s1
InChIKeyJKBQBHXQYWAYRY-SANMLTNESA-N
XLogP3.85
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide?
The IUPAC name of (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide (CID 167525715) is (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide is Cc1c(-c2ccc(NC(=O)[C@@H](N)C(c3ccccc3)c3ccccc3)nc2)ccc(=O)n1C.
What is the InChIKey of (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide?
The InChIKey is JKBQBHXQYWAYRY-SANMLTNESA-N. The full InChI is InChI=1S/C27H26N4O2/c1-18-22(14-16-24(32)31(18)2)21-13-15-23(29-17-21)30-27(33)26(28)25(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-17,25-26H,28H2,1-2H3,(H,29,30,33)/t26-/m0/s1.
What are the key properties of (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide?
(2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide has a molecular weight of 438.53 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]-3,3-diphenylpropanamide is sourced from PubChem (CID 167525715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).