N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide

C18H17N3OS — CID 110131635

IUPACN-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCc1ncsc1-c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C18H17N3OS/c1-13-17(23-12-20-13)16-10-15(8-9-19-16)18(22)21(2)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyZFHSORVMLKVBRV-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.79
Rot. Bonds4

About N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide

N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide (PubChem CID 110131635) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
PubChem CID110131635
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
SMILESCc1ncsc1-c1cc(C(=O)N(C)Cc2ccccc2)ccn1
InChIInChI=1S/C18H17N3OS/c1-13-17(23-12-20-13)16-10-15(8-9-19-16)18(22)21(2)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChIKeyZFHSORVMLKVBRV-UHFFFAOYSA-N
XLogP3.79
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-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-benzyl-N-ethyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110111082
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide
CID 141379773
N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372097
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
N-benzyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]quinoxaline-6-carboxamide
CID 74241327
1-[4-[2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 110111119
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide (CID 110131635) is N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide is Cc1ncsc1-c1cc(C(=O)N(C)Cc2ccccc2)ccn1.
What is the InChIKey of N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
The InChIKey is ZFHSORVMLKVBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-17(23-12-20-13)16-10-15(8-9-19-16)18(22)21(2)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide?
N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 110131635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).