N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide

C15H19N3OS — CID 84510037

IUPACN-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
SMILESCc1csc(C(CC(C)C)NC(=O)c2cccnc2)n1
InChIInChI=1S/C15H19N3OS/c1-10(2)7-13(15-17-11(3)9-20-15)18-14(19)12-5-4-6-16-8-12/h4-6,8-10,13H,7H2,1-3H3,(H,18,19)
InChIKeyZPFIJKRFCWNRDG-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.36
Rot. Bonds5

About N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide

N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide (PubChem CID 84510037) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
PubChem CID84510037
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide
SMILESCc1csc(C(CC(C)C)NC(=O)c2cccnc2)n1
InChIInChI=1S/C15H19N3OS/c1-10(2)7-13(15-17-11(3)9-20-15)18-14(19)12-5-4-6-16-8-12/h4-6,8-10,13H,7H2,1-3H3,(H,18,19)
InChIKeyZPFIJKRFCWNRDG-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]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

2,6-dimethoxy-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]benzamide
CID 110289706
N-[2-[[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]carbamoylamino]ethyl]pyridine-3-carboxamide
CID 124617062
[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl] pyridine-3-carboxylate
CID 99856884
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
2-(dimethylamino)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-2-phenylacetamide
CID 110628639
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
1-benzoyl-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]piperidine-4-carboxamide
CID 110308146
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
4-(2-chlorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]-4-oxobutanamide
CID 110628679
3-(2-fluorophenyl)-N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]propanamide
CID 110628634
2-amino-N-(3-methyl-1-pyridin-3-ylbutyl)-1,3-thiazole-4-carboxamide
CID 118765879
2-[(1R)-1-(cyclopentanecarbonylamino)-3-methylbutyl]-N-pyridin-3-yl-1,3-thiazole-4-carboxamide
CID 171386735

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide (CID 84510037) is N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide is Cc1csc(C(CC(C)C)NC(=O)c2cccnc2)n1.
What is the InChIKey of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide?
The InChIKey is ZPFIJKRFCWNRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(2)7-13(15-17-11(3)9-20-15)18-14(19)12-5-4-6-16-8-12/h4-6,8-10,13H,7H2,1-3H3,(H,18,19).
What are the key properties of N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide?
N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 84510037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).