N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide

C12H12N4O3 — CID 71807585

IUPACN-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide
SMILESCOc1ncc(NC(=O)c2ccncc2)c(OC)n1
InChIInChI=1S/C12H12N4O3/c1-18-11-9(7-14-12(16-11)19-2)15-10(17)8-3-5-13-6-4-8/h3-7H,1-2H3,(H,15,17)
InChIKeyPLLOFTVCIDATFL-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.14
Rot. Bonds4

About N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide

N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide (PubChem CID 71807585) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide
PubChem CID71807585
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide
SMILESCOc1ncc(NC(=O)c2ccncc2)c(OC)n1
InChIInChI=1S/C12H12N4O3/c1-18-11-9(7-14-12(16-11)19-2)15-10(17)8-3-5-13-6-4-8/h3-7H,1-2H3,(H,15,17)
InChIKeyPLLOFTVCIDATFL-UHFFFAOYSA-N
XLogP1.14
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide (CID 71807585) is N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide is COc1ncc(NC(=O)c2ccncc2)c(OC)n1.
What is the InChIKey of N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide?
The InChIKey is PLLOFTVCIDATFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-18-11-9(7-14-12(16-11)19-2)15-10(17)8-3-5-13-6-4-8/h3-7H,1-2H3,(H,15,17).
What are the key properties of N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide?
N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide has a molecular weight of 260.25 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxypyrimidin-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 71807585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).