1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide

C27H31N3O3 — CID 95089070

IUPAC1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c1=O
InChIInChI=1S/C27H31N3O3/c1-19(12-13-20-9-6-5-7-10-20)28-24(31)23-11-8-18-30(25(23)32)22-16-14-21(15-17-22)29-26(33)27(2,3)4/h5-11,14-19H,12-13H2,1-4H3,(H,28,31)(H,29,33)/t19-/m1/s1
InChIKeyRWGWJEHRCCFIAF-LJQANCHMSA-N
MW445.56 g/mol
LogP4.57
Rot. Bonds7

About 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide

1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide (PubChem CID 95089070) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide
PubChem CID95089070
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c1=O
InChIInChI=1S/C27H31N3O3/c1-19(12-13-20-9-6-5-7-10-20)28-24(31)23-11-8-18-30(25(23)32)22-16-14-21(15-17-22)29-26(33)27(2,3)4/h5-11,14-19H,12-13H2,1-4H3,(H,28,31)(H,29,33)/t19-/m1/s1
InChIKeyRWGWJEHRCCFIAF-LJQANCHMSA-N
XLogP4.57
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119404
1-[4-[(4-fluorobenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 46388387
1-[4-[(3-methylbenzoyl)amino]phenyl]-2-oxo-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 53119403
2,2-dimethyl-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 51374320
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(1-phenylethyl)pyridine-3-carboxamide
CID 53119353
1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxo-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 46388392
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 53011449
1-(4-acetamidophenyl)-N-methyl-2-oxopyridine-3-carboxamide
CID 20974500
4-(carbamoylamino)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 26013431
(4S)-4-[(1-benzyl-2-oxopyridine-3-carbonyl)amino]pentanoic acid
CID 97338787
1-methyl-2-oxo-N-(4-phenylbutan-2-yl)-1,8-naphthyridine-3-carboxamide
CID 43995808
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 53119420

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide (CID 95089070) is 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1cccn(-c2ccc(NC(=O)C(C)(C)C)cc2)c1=O.
What is the InChIKey of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide?
The InChIKey is RWGWJEHRCCFIAF-LJQANCHMSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-19(12-13-20-9-6-5-7-10-20)28-24(31)23-11-8-18-30(25(23)32)22-16-14-21(15-17-22)29-26(33)27(2,3)4/h5-11,14-19H,12-13H2,1-4H3,(H,28,31)(H,29,33)/t19-/m1/s1.
What are the key properties of 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide?
1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropanoylamino)phenyl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95089070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).