2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide

C30H26N4O2 — CID 172875287

IUPAC2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)C(c1cccnc1)N(C(=O)CC#N)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,20-22,29H,18H2,1H3,(H,33,36)
InChIKeySQGCCBUMOFAKRU-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.61
Rot. Bonds8

About 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide

2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide (PubChem CID 172875287) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
PubChem CID172875287
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
SMILESCC(NC(=O)C(c1cccnc1)N(C(=O)CC#N)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C30H26N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,20-22,29H,18H2,1H3,(H,33,36)
InChIKeySQGCCBUMOFAKRU-UHFFFAOYSA-N
XLogP5.61
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide 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

2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
CID 162396327
2-bromo-2,2-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
CID 162396354
4-methyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)pent-2-ynamide
CID 177371547
2,2-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)propanamide
CID 162396351
methyl (E)-4-oxo-4-(N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-4-phenylanilino)but-2-enoate
CID 177371538
N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893239
(2R)-2-(N-(2,2-dichloroacetyl)-4-phenylanilino)-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylacetamide
CID 162396347
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
(2R,4R)-1-cyano-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-pyridin-3-ylethyl]-4-methyl-N-(4-phenylphenyl)pyrrolidine-2-carboxamide
CID 167604512
1-cyano-N-[1-(5-fluoro-3-pyridinyl)-2-oxo-2-(1-phenylethylamino)ethyl]-4-hydroxy-4-methyl-N-(4-phenylphenyl)pyrrolidine-2-carboxamide
CID 156894168
2-[[(2R)-2-[N-(furan-2-carbonyl)-4-phenylanilino]-2-pyridin-3-ylacetyl]amino]-2-phenylacetic acid
CID 171502910
N-[2-(tert-butylamino)-2-oxo-1-pyridin-3-ylethyl]-N-(4-tert-butylphenyl)-3-methylbutanamide;2,2,2-trifluoroacetic acid
CID 45489409

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide?
The IUPAC name of 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide (CID 172875287) is 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide is CC(NC(=O)C(c1cccnc1)N(C(=O)CC#N)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide?
The InChIKey is SQGCCBUMOFAKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-22(23-9-4-2-5-10-23)33-30(36)29(26-13-8-20-32-21-26)34(28(35)18-19-31)27-16-14-25(15-17-27)24-11-6-3-7-12-24/h2-17,20-22,29H,18H2,1H3,(H,33,36).
What are the key properties of 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide?
2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide has a molecular weight of 474.56 g/mol, XLogP of 5.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide is sourced from PubChem (CID 172875287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).