2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide

C15H12N4OS — CID 123226629

IUPAC2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3ccsc3)cn2)cn1
InChIInChI=1S/C15H12N4OS/c1-10-16-7-13(8-17-10)15(20)19-14-3-2-11(6-18-14)12-4-5-21-9-12/h2-9H,1H3,(H,18,19,20)
InChIKeySOLDOKBPILMFGH-UHFFFAOYSA-N
MW296.36 g/mol
LogP3.16
Rot. Bonds3

About 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide

2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 123226629) has the molecular formula C15H12N4OS and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
PubChem CID123226629
Molecular FormulaC15H12N4OS
Molecular Weight296.36 g/mol
Exact Mass296.07
IUPAC Name2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3ccsc3)cn2)cn1
InChIInChI=1S/C15H12N4OS/c1-10-16-7-13(8-17-10)15(20)19-14-3-2-11(6-18-14)12-4-5-21-9-12/h2-9H,1H3,(H,18,19,20)
InChIKeySOLDOKBPILMFGH-UHFFFAOYSA-N
XLogP3.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide (CID 123226629) is 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(-c3ccsc3)cn2)cn1.
What is the InChIKey of 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is SOLDOKBPILMFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4OS/c1-10-16-7-13(8-17-10)15(20)19-14-3-2-11(6-18-14)12-4-5-21-9-12/h2-9H,1H3,(H,18,19,20).
What are the key properties of 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide?
2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 123226629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).