N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

C21H23N3O2S — CID 131945511

IUPACN-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)CCn1c(C)cccc1=O
InChIInChI=1S/C21H23N3O2S/c1-16-7-6-10-21(26)24(16)12-11-20(25)23(13-18-8-4-3-5-9-18)14-19-17(2)22-15-27-19/h3-10,15H,11-14H2,1-2H3
InChIKeyCERVCWUGZFWRDV-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.54
Rot. Bonds7

About N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide

N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 131945511) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID131945511
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncsc1CN(Cc1ccccc1)C(=O)CCn1c(C)cccc1=O
InChIInChI=1S/C21H23N3O2S/c1-16-7-6-10-21(26)24(16)12-11-20(25)23(13-18-8-4-3-5-9-18)14-19-17(2)22-15-27-19/h3-10,15H,11-14H2,1-2H3
InChIKeyCERVCWUGZFWRDV-UHFFFAOYSA-N
XLogP3.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide 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-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-pyridin-4-ylpropanamide
CID 74235505
N-benzyl-2-(2-methylphenoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 131929748
N-benzyl-2-(4-methyl-1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide;formic acid
CID 154915759
1-benzyl-3-[(2S)-1-(dimethylamino)propan-2-yl]-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 126441669
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 74241327
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 42513270
N-ethyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 70725804
N-(3-amino-3-oxopropyl)-N-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 56816608
N-benzyl-N-(2-chloroethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 63390843
N-benzyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide;formic acid
CID 154914502
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-oxo-1-pyridinyl)-N-[[(3R)-pyrrolidin-3-yl]methyl]acetamide
CID 129344186
N-benzyl-3-(2-oxo-1-pyridinyl)-N-propylpropanamide
CID 86984792

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 131945511) is N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncsc1CN(Cc1ccccc1)C(=O)CCn1c(C)cccc1=O.
What is the InChIKey of N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is CERVCWUGZFWRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-16-7-6-10-21(26)24(16)12-11-20(25)23(13-18-8-4-3-5-9-18)14-19-17(2)22-15-27-19/h3-10,15H,11-14H2,1-2H3.
What are the key properties of N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide?
N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 381.50 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methyl-6-oxo-1-pyridinyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 131945511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).