2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide

C13H13N3O2 — CID 171486957

IUPAC2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide
SMILES[2H]COc1nc(C)cc(-c2ccncc2)c1C(N)=O
InChIInChI=1S/C13H13N3O2/c1-8-7-10(9-3-5-15-6-4-9)11(12(14)17)13(16-8)18-2/h3-7H,1-2H3,(H2,14,17)/i2D
InChIKeyLUHOZXFADORBSC-VMNATFBRSA-N
MW244.27 g/mol
LogP1.56
Rot. Bonds4

About 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide

2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 171486957) has the molecular formula C13H13N3O2 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide
PubChem CID171486957
Molecular FormulaC13H13N3O2
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide
SMILES[2H]COc1nc(C)cc(-c2ccncc2)c1C(N)=O
InChIInChI=1S/C13H13N3O2/c1-8-7-10(9-3-5-15-6-4-9)11(12(14)17)13(16-8)18-2/h3-7H,1-2H3,(H2,14,17)/i2D
InChIKeyLUHOZXFADORBSC-VMNATFBRSA-N
XLogP1.56
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-2-methoxy-6-methylpyridine-3-carboxamide
CID 130017235
4,6-dipyridin-4-ylbenzene-1,3-dicarboxamide
CID 159949723
2,4-dipyridin-4-ylthiophene-3-carboxamide
CID 141277956
2-fluoro-6-pyridin-4-ylbenzamide
CID 46315506
2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide
CID 20509442
4,6-dimethyl-5-pyridin-4-ylpyridine-2-carboxamide
CID 177186371
2-(5-methoxy-2-pyridin-4-ylphenyl)acetic acid
CID 11528862
(6-methyl-3-pyridin-4-yl-2-pyridinyl)methanol
CID 165446182
2,4-dimethoxypyridine-3-carboxamide
CID 22356790
ethyl 2-fluoro-3,6-dipyridin-4-ylbenzoate
CID 46317978
4-ethyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 70479920
dimethyl 6-methyl-4-phenylpyridine-2,3-dicarboxylate
CID 102083837

Frequently Asked Questions

What is the IUPAC name of 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide (CID 171486957) is 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide is [2H]COc1nc(C)cc(-c2ccncc2)c1C(N)=O.
What is the InChIKey of 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is LUHOZXFADORBSC-VMNATFBRSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-7-10(9-3-5-15-6-4-9)11(12(14)17)13(16-8)18-2/h3-7H,1-2H3,(H2,14,17)/i2D.
What are the key properties of 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide?
2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(deuteriomethoxy)-6-methyl-4-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 171486957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).