6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide

C16H17N3O3 — CID 118613150

IUPAC6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OCC2COC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H17N3O3/c1-11-6-13(22-10-12-8-21-9-12)7-14(18-11)16(20)19-15-4-2-3-5-17-15/h2-7,12H,8-10H2,1H3,(H,17,19,20)
InChIKeyBEKIIIMZHSFSIN-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.06
Rot. Bonds5

About 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide

6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide (PubChem CID 118613150) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
PubChem CID118613150
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide
SMILESCc1cc(OCC2COC2)cc(C(=O)Nc2ccccn2)n1
InChIInChI=1S/C16H17N3O3/c1-11-6-13(22-10-12-8-21-9-12)7-14(18-11)16(20)19-15-4-2-3-5-17-15/h2-7,12H,8-10H2,1H3,(H,17,19,20)
InChIKeyBEKIIIMZHSFSIN-UHFFFAOYSA-N
XLogP2.06
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.06
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
N-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11603119
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-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
N-(6-fluoro-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60197825
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
N-(6-ethyl-2-pyridinyl)-4-[(5-fluoro-3-pyridinyl)oxy]-6-methylpyridine-2-carboxamide
CID 60198043

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide (CID 118613150) is 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide is Cc1cc(OCC2COC2)cc(C(=O)Nc2ccccn2)n1.
What is the InChIKey of 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
The InChIKey is BEKIIIMZHSFSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-6-13(22-10-12-8-21-9-12)7-14(18-11)16(20)19-15-4-2-3-5-17-15/h2-7,12H,8-10H2,1H3,(H,17,19,20).
What are the key properties of 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide?
6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(oxetan-3-ylmethoxy)-N-pyridin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118613150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).