3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C18H20N6OS — CID 25097158

IUPAC3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)ccc2Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C18H20N6OS/c1-10-4-7-13(21-15-8-14(12-5-6-12)23-24(15)3)16(19-10)17(25)22-18-20-11(2)9-26-18/h4,7-9,12,21H,5-6H2,1-3H3,(H,20,22,25)
InChIKeyOQZMPYKDWOAGQS-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.76
Rot. Bonds5

About 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 25097158) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID25097158
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1csc(NC(=O)c2nc(C)ccc2Nc2cc(C3CC3)nn2C)n1
InChIInChI=1S/C18H20N6OS/c1-10-4-7-13(21-15-8-14(12-5-6-12)23-24(15)3)16(19-10)17(25)22-18-20-11(2)9-26-18/h4,7-9,12,21H,5-6H2,1-3H3,(H,20,22,25)
InChIKeyOQZMPYKDWOAGQS-UHFFFAOYSA-N
XLogP3.76
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 25097158) is 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1csc(NC(=O)c2nc(C)ccc2Nc2cc(C3CC3)nn2C)n1.
What is the InChIKey of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is OQZMPYKDWOAGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c1-10-4-7-13(21-15-8-14(12-5-6-12)23-24(15)3)16(19-10)17(25)22-18-20-11(2)9-26-18/h4,7-9,12,21H,5-6H2,1-3H3,(H,20,22,25).
What are the key properties of 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 25097158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).