N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide

C18H19N3O3 — CID 118066536

IUPACN-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESC[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1
InChIInChI=1S/C18H19N3O3/c1-13(12-22)20-18(24)16(11-14-5-3-2-4-6-14)21-17(23)15-7-9-19-10-8-15/h2-10,12-13,16H,11H2,1H3,(H,20,24)(H,21,23)/t13-,16-/m0/s1
InChIKeyFOSSBMGJKOXUMN-BBRMVZONSA-N
MW325.37 g/mol
LogP1.13
Rot. Bonds7

About N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide

N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide (PubChem CID 118066536) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
PubChem CID118066536
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide
SMILESC[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1
InChIInChI=1S/C18H19N3O3/c1-13(12-22)20-18(24)16(11-14-5-3-2-4-6-14)21-17(23)15-7-9-19-10-8-15/h2-10,12-13,16H,11H2,1H3,(H,20,24)(H,21,23)/t13-,16-/m0/s1
InChIKeyFOSSBMGJKOXUMN-BBRMVZONSA-N
XLogP1.13
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-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

N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-[(2R)-1-oxo-1-[[(2S)-1-oxo-1-[[(2S)-1-oxo-3-phenylpropan-2-yl]amino]propan-2-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 56597575
N-[(2S,8S)-3,7-dioxo-1,9-diphenyl-8-(pyridine-4-carbonylamino)nonan-2-yl]pyridine-4-carboxamide
CID 58426253
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]acetamide
CID 24838768
2-benzamido-3-pyridin-4-ylpropanoic acid
CID 19602413
3-[(2-benzamido-3-phenylpropanoyl)amino]butanoic acid
CID 119220838
N-[(2R)-1-oxo-1-(pentan-3-ylamino)-3-phenylpropan-2-yl]benzamide
CID 9120177
(2S)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]propanoate
CID 2282453
(2R)-2-[[(2R)-2-benzamido-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 2282526
N-[(2S)-1-[[(2S)-1-[(2-methyl-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 88568383
2-[[3-(2-methylphenyl)-2-(pyridine-4-carbonylamino)propanoyl]amino]propanoic acid
CID 77473548
N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide (CID 118066536) is N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide is C[C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
The InChIKey is FOSSBMGJKOXUMN-BBRMVZONSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(12-22)20-18(24)16(11-14-5-3-2-4-6-14)21-17(23)15-7-9-19-10-8-15/h2-10,12-13,16H,11H2,1H3,(H,20,24)(H,21,23)/t13-,16-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide?
N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 118066536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).