6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C15H14N6OS — CID 11645557

IUPAC6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2cncnc2)c(C(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C15H14N6OS/c1-9-3-4-12(20-11-6-16-8-17-7-11)13(19-9)14(22)21-15-18-5-10(2)23-15/h3-8,20H,1-2H3,(H,18,21,22)
InChIKeyOUWFCFICLBNRHP-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.94
Rot. Bonds4

About 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 11645557) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID11645557
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC Name6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCc1ccc(Nc2cncnc2)c(C(=O)Nc2ncc(C)s2)n1
InChIInChI=1S/C15H14N6OS/c1-9-3-4-12(20-11-6-16-8-17-7-11)13(19-9)14(22)21-15-18-5-10(2)23-15/h3-8,20H,1-2H3,(H,18,21,22)
InChIKeyOUWFCFICLBNRHP-UHFFFAOYSA-N
XLogP2.94
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 11645557) is 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cc1ccc(Nc2cncnc2)c(C(=O)Nc2ncc(C)s2)n1.
What is the InChIKey of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is OUWFCFICLBNRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-9-3-4-12(20-11-6-16-8-17-7-11)13(19-9)14(22)21-15-18-5-10(2)23-15/h3-8,20H,1-2H3,(H,18,21,22).
What are the key properties of 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 326.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1,3-thiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 11645557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).