6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide

C17H19N3O3 — CID 118613057

IUPAC6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OC2CCOCC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C17H19N3O3/c1-12-10-14(23-13-5-8-22-9-6-13)11-15(19-12)17(21)20-16-4-2-3-7-18-16/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,18,20,21)
InChIKeyIPXNGCJWUUICGN-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.60
Rot. Bonds4

About 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide

6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 118613057) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID118613057
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OC2CCOCC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C17H19N3O3/c1-12-10-14(23-13-5-8-22-9-6-13)11-15(19-12)17(21)20-16-4-2-3-7-18-16/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,18,20,21)
InChIKeyIPXNGCJWUUICGN-UHFFFAOYSA-N
XLogP2.60
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Auglurant
CID 60168069
2-PyridinecarboxaMide, N-(5-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-Methyl-
CID 60197821
4-(Piperidin-4-yloxy)pyridine-2-carboxamide
CID 62344237
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11603119
4-[(5-chloro-3-pyridinyl)oxy]-N-(5-fluoro-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 60196616
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(4-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197712
N-(6-fluoro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197713
N-(5-chloro-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197714
N-(5-fluoro-2-pyridinyl)-6-methyl-4-(2-methylpyrimidin-5-yl)oxypyridine-2-carboxamide
CID 60197716
4-[(5-fluoro-3-pyridinyl)oxy]-6-methyl-N-(6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 60197822
N-(4-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197823

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide (CID 118613057) is 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide is Cc1cc(OC2CCOCC2)cc(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is IPXNGCJWUUICGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12-10-14(23-13-5-8-22-9-6-13)11-15(19-12)17(21)20-16-4-2-3-7-18-16/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,18,20,21).
What are the key properties of 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide?
6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxan-4-yloxy)-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118613057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).