4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide

C11H9ClN4O2 — CID 75388549

IUPAC4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)ccn2)ncn1
InChIInChI=1S/C11H9ClN4O2/c1-18-10-5-9(14-6-15-10)16-11(17)8-4-7(12)2-3-13-8/h2-6H,1H3,(H,14,15,16,17)
InChIKeyIAIJYQIWASLWIP-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.79
Rot. Bonds3

About 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide

4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide (PubChem CID 75388549) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide
PubChem CID75388549
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(Cl)ccn2)ncn1
InChIInChI=1S/C11H9ClN4O2/c1-18-10-5-9(14-6-15-10)16-11(17)8-4-7(12)2-3-13-8/h2-6H,1H3,(H,14,15,16,17)
InChIKeyIAIJYQIWASLWIP-UHFFFAOYSA-N
XLogP1.79
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197714
Pyrimidine-4-carboxamide, 87
CID 44520956
N-(5-chloro-6-methoxypyridin-2-yl)picolinamide
CID 44189736
4-chloro-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 25346044
N-(6-chloro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 88064391
US10894788, Example 150
CID 147169460
US10894788, Example 77
CID 151650550
N-(6-methoxypyrimidin-4-yl)picolinamide
CID 44189738
(4-chloro-1H-pyrrol-2-yl)-[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 53586716
(4-chloro-1H-pyrrol-2-yl)-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 53610569
N-(2,4-diethoxypyrimidin-5-yl)picolinamide
CID 71807613
N-(5-chloro-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 69939869

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide (CID 75388549) is 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cc(Cl)ccn2)ncn1.
What is the InChIKey of 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide?
The InChIKey is IAIJYQIWASLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c1-18-10-5-9(14-6-15-10)16-11(17)8-4-7(12)2-3-13-8/h2-6H,1H3,(H,14,15,16,17).
What are the key properties of 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide?
4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide has a molecular weight of 264.67 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(6-methoxypyrimidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 75388549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).