2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide

C29H26N6O2 — CID 162396327

IUPAC2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)CN=[N+]=[N-])c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H26N6O2/c1-21(22-9-4-2-5-10-22)33-29(37)28(25-13-8-18-31-19-25)35(27(36)20-32-34-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-19,21,28H,20H2,1H3,(H,33,37)/t21-,28?/m0/s1
InChIKeyGEYTVBNZOHWYQI-QDLLFRBVSA-N
MW490.57 g/mol
LogP6.01
Rot. Bonds9

About 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide

2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide (PubChem CID 162396327) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
PubChem CID162396327
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide
SMILESC[C@H](NC(=O)C(c1cccnc1)N(C(=O)CN=[N+]=[N-])c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H26N6O2/c1-21(22-9-4-2-5-10-22)33-29(37)28(25-13-8-18-31-19-25)35(27(36)20-32-34-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-19,21,28H,20H2,1H3,(H,33,37)/t21-,28?/m0/s1
InChIKeyGEYTVBNZOHWYQI-QDLLFRBVSA-N
XLogP6.01
TPSA111.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.57
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide 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-cyano-N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
CID 172875287
2-bromo-2,2-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)acetamide
CID 162396354
2,2-dichloro-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)propanamide
CID 162396351
4-methyl-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)pent-2-ynamide
CID 177371547
N-[2-oxo-2-(1-phenylethylamino)-1-pyridin-3-ylethyl]-N-(4-phenylphenyl)furan-2-carboxamide
CID 156893239
methyl (E)-4-oxo-4-(N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-4-phenylanilino)but-2-enoate
CID 177371538
(2R)-2-(N-(2,2-dichloroacetyl)-4-phenylanilino)-N-[(2S)-4-phenylbutan-2-yl]-2-pyridin-3-ylacetamide
CID 162396347
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
N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]-1-pyridin-3-ylethyl]-N-(4-piperidin-1-ylphenyl)furan-2-carboxamide
CID 163391787
2-chloro-N-[(1R)-1-pyridin-3-ylethyl]propanamide
CID 81405185
N-tert-butyl-2-(4-tert-butyl-N-(2-pyridin-3-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 44634782

Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide (CID 162396327) is 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide is C[C@H](NC(=O)C(c1cccnc1)N(C(=O)CN=[N+]=[N-])c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide?
The InChIKey is GEYTVBNZOHWYQI-QDLLFRBVSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-21(22-9-4-2-5-10-22)33-29(37)28(25-13-8-18-31-19-25)35(27(36)20-32-34-30)26-16-14-24(15-17-26)23-11-6-3-7-12-23/h2-19,21,28H,20H2,1H3,(H,33,37)/t21-,28?/m0/s1.
What are the key properties of 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide?
2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide has a molecular weight of 490.57 g/mol, XLogP of 6.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-azidoacetyl)-4-phenylanilino)-N-[(1S)-1-phenylethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 162396327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).