N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

C21H22N4O3S — CID 92634483

IUPACN-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccc1
InChIInChI=1S/C21H22N4O3S/c1-15(16-6-4-3-5-7-16)12-24(2)20(28)17-8-9-19(27)25(13-17)14-18(26)23-21-22-10-11-29-21/h3-11,13,15H,12,14H2,1-2H3,(H,22,23,26)/t15-/m0/s1
InChIKeyXNCGZMXZXZNWDU-HNNXBMFYSA-N
MW410.50 g/mol
LogP2.82
Rot. Bonds7

About N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (PubChem CID 92634483) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
PubChem CID92634483
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC NameN-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccc1
InChIInChI=1S/C21H22N4O3S/c1-15(16-6-4-3-5-7-16)12-24(2)20(28)17-8-9-19(27)25(13-17)14-18(26)23-21-22-10-11-29-21/h3-11,13,15H,12,14H2,1-2H3,(H,22,23,26)/t15-/m0/s1
InChIKeyXNCGZMXZXZNWDU-HNNXBMFYSA-N
XLogP2.82
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]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

6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110246993
6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(1S)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 92634575
2-[5-(1,4-oxazepane-4-carbonyl)-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 92634518
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
CID 23964431
2-(2,5-dimethylpyrrol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110688880
2-[2-oxo-5-[(2R)-2-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 92635602
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]-N-(1,3-thiazol-2-yl)acetamide
CID 110246974
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 121064311
2-(dimethylamino)-2-phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 47839437
(2R,3R)-3-methyl-2-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 8762760
N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86936286

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (CID 92634483) is N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is C[C@@H](CN(C)C(=O)c1ccc(=O)n(CC(=O)Nc2nccs2)c1)c1ccccc1.
What is the InChIKey of N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The InChIKey is XNCGZMXZXZNWDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-15(16-6-4-3-5-7-16)12-24(2)20(28)17-8-9-19(27)25(13-17)14-18(26)23-21-22-10-11-29-21/h3-11,13,15H,12,14H2,1-2H3,(H,22,23,26)/t15-/m0/s1.
What are the key properties of N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 92634483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).