N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

C17H19N3O2 — CID 110286640

IUPACN-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-12(2)19-17(22)15(13-6-4-3-5-7-13)20-16(21)14-8-10-18-11-9-14/h3-12,15H,1-2H3,(H,19,22)(H,20,21)/t15-/m0/s1
InChIKeyQEVBWYKKFSNQOC-HNNXBMFYSA-N
MW297.36 g/mol
LogP2.08
Rot. Bonds5

About N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide

N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (PubChem CID 110286640) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
PubChem CID110286640
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
SMILESCC(C)NC(=O)[C@@H](NC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-12(2)19-17(22)15(13-6-4-3-5-7-13)20-16(21)14-8-10-18-11-9-14/h3-12,15H,1-2H3,(H,19,22)(H,20,21)/t15-/m0/s1
InChIKeyQEVBWYKKFSNQOC-HNNXBMFYSA-N
XLogP2.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]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

4-fluoro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286605
4-bromo-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286608
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
3-bromo-5-fluoro-N-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110626082
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771
N-(2-hydrazinyl-2-oxo-1-phenylethyl)benzamide
CID 4534244
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[(1S)-2-(3-methylbutylamino)-2-oxo-1-phenylethyl]benzamide
CID 25391456
2-[[2-(dimethylamino)-2-phenylacetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626026
N-(1-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 51073131
2,4-dichloro-N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]benzamide
CID 110286652
N-propan-2-yl-4-pyridin-4-ylbenzamide
CID 18337148

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide (CID 110286640) is N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is CC(C)NC(=O)[C@@H](NC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
The InChIKey is QEVBWYKKFSNQOC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12(2)19-17(22)15(13-6-4-3-5-7-13)20-16(21)14-8-10-18-11-9-14/h3-12,15H,1-2H3,(H,19,22)(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide?
N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 110286640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).