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

C18H18N4OS — CID 145489177

IUPAC6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C)nc2)n1
InChIInChI=1S/C18H18N4OS/c1-12-5-3-4-6-16(12)20-10-15-8-7-14(9-19-15)17(23)22-18-21-13(2)11-24-18/h3-9,11,20H,10H2,1-2H3,(H,21,22,23)
InChIKeySSQGUNLQSXARJD-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.02
Rot. Bonds5

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

6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (PubChem CID 145489177) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
PubChem CID145489177
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C)nc2)n1
InChIInChI=1S/C18H18N4OS/c1-12-5-3-4-6-16(12)20-10-15-8-7-14(9-19-15)17(23)22-18-21-13(2)11-24-18/h3-9,11,20H,10H2,1-2H3,(H,21,22,23)
InChIKeySSQGUNLQSXARJD-UHFFFAOYSA-N
XLogP4.02
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylphenyl)methylamino]-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-carboxamide
CID 145489207
4-[(4-fluoro-2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 145489087
4-N-(4-methyl-1,3-thiazol-2-yl)-1-N-[2-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 145489343
4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 683754
4-N-(4-methyl-1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
CID 47106736
4-iodo-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 885062
[2-[5-[(2-methylanilino)methyl]-2-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]anilino]-2-oxoethyl] acetate
CID 145488897
4-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 62173171
4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 16608470
4-[(2-bromoanilino)methyl]-N-[4-(hydroxymethyl)-1,3-thiazol-2-yl]benzamide
CID 145489204
3-methoxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 17425685
N-(4-ethyl-1,3-thiazol-2-yl)-4-[(2-hexyl-3-methylanilino)methyl]benzamide;methoxymethane
CID 145488985

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide (CID 145489177) is 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)nc2)n1.
What is the InChIKey of 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is SSQGUNLQSXARJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-5-3-4-6-16(12)20-10-15-8-7-14(9-19-15)17(23)22-18-21-13(2)11-24-18/h3-9,11,20H,10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide?
6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 145489177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).