2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide

C18H17N3OS — CID 87012122

IUPAC2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)n1
InChIInChI=1S/C18H17N3OS/c1-11-7-8-16(12(2)19-11)18(22)21-15-6-4-5-14(9-15)17-10-23-13(3)20-17/h4-10H,1-3H3,(H,21,22)
InChIKeyHJDSSQOUHPFPSX-UHFFFAOYSA-N
MW323.42 g/mol
LogP4.38
Rot. Bonds3

About 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide

2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide (PubChem CID 87012122) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
PubChem CID87012122
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)n1
InChIInChI=1S/C18H17N3OS/c1-11-7-8-16(12(2)19-11)18(22)21-15-6-4-5-14(9-15)17-10-23-13(3)20-17/h4-10H,1-3H3,(H,21,22)
InChIKeyHJDSSQOUHPFPSX-UHFFFAOYSA-N
XLogP4.38
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 766934
2,5-dichloro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859274
3-(6-methylpyridazin-3-yl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 169412103
2,4-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide;ethane
CID 143409150
3-bromo-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1362516
2,6-dimethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 99582165
3-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-nitrobenzamide
CID 30858602
2-amino-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 43218994
5-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 34406836
3-fluoro-4-methyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 26927659
3-(dimethylamino)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide
CID 30859281
N-(3-bromophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47299315

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide (CID 87012122) is 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3csc(C)n3)c2)c(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is HJDSSQOUHPFPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-7-8-16(12(2)19-11)18(22)21-15-6-4-5-14(9-15)17-10-23-13(3)20-17/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide?
2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 87012122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).