5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C18H18N4OS — CID 145489195

IUPAC5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C)cn2)n1
InChIInChI=1S/C18H18N4OS/c1-12-5-3-4-6-15(12)19-9-14-7-8-16(20-10-14)17(23)22-18-21-13(2)11-24-18/h3-8,10-11,19H,9H2,1-2H3,(H,21,22,23)
InChIKeyDHCNUSNZEUSTQC-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.02
Rot. Bonds5

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

5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 145489195) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID145489195
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2ccc(CNc3ccccc3C)cn2)n1
InChIInChI=1S/C18H18N4OS/c1-12-5-3-4-6-15(12)19-9-14-7-8-16(20-10-14)17(23)22-18-21-13(2)11-24-18/h3-8,10-11,19H,9H2,1-2H3,(H,21,22,23)
InChIKeyDHCNUSNZEUSTQC-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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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 145489195) is 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cn2)n1.
What is the InChIKey of 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is DHCNUSNZEUSTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-5-3-4-6-15(12)19-9-14-7-8-16(20-10-14)17(23)22-18-21-13(2)11-24-18/h3-8,10-11,19H,9H2,1-2H3,(H,21,22,23).
What are the key properties of 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-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 5-[(2-methylanilino)methyl]-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 145489195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).