5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide

C11H9ClN4O2 — CID 75484431

IUPAC5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)nc(=O)[nH]1
InChIInChI=1S/C11H9ClN4O2/c1-6-4-9(16-11(18)14-6)15-10(17)8-3-2-7(12)5-13-8/h2-5H,1H3,(H2,14,15,16,17,18)
InChIKeyAVASLRIMUGWOAO-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.38
Rot. Bonds2

About 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide

5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide (PubChem CID 75484431) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide
PubChem CID75484431
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)nc(=O)[nH]1
InChIInChI=1S/C11H9ClN4O2/c1-6-4-9(16-11(18)14-6)15-10(17)8-3-2-7(12)5-13-8/h2-5H,1H3,(H2,14,15,16,17,18)
InChIKeyAVASLRIMUGWOAO-UHFFFAOYSA-N
XLogP1.38
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide (CID 75484431) is 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)cn2)nc(=O)[nH]1.
What is the InChIKey of 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide?
The InChIKey is AVASLRIMUGWOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c1-6-4-9(16-11(18)14-6)15-10(17)8-3-2-7(12)5-13-8/h2-5H,1H3,(H2,14,15,16,17,18).
What are the key properties of 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide?
5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(6-methyl-2-oxo-1H-pyrimidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 75484431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).