6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide

C18H19N3O3 — CID 131988817

IUPAC6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2COC2)cc(Cc2ccccc2)n1
InChIInChI=1S/C18H19N3O3/c1-19-18(23)16-9-13(17(22)21-15-10-24-11-15)8-14(20-16)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyDOGWKUXBISUIFT-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.16
Rot. Bonds5

About 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide

6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide (PubChem CID 131988817) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
PubChem CID131988817
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2COC2)cc(Cc2ccccc2)n1
InChIInChI=1S/C18H19N3O3/c1-19-18(23)16-9-13(17(22)21-15-10-24-11-15)8-14(20-16)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10-11H2,1H3,(H,19,23)(H,21,22)
InChIKeyDOGWKUXBISUIFT-UHFFFAOYSA-N
XLogP1.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
CID 131997123
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 138571886
4-N-(3-aminopropyl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide;hydrochloride
CID 153309197
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673
4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 145407052
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997330
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896
6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131988964
6-benzyl-2-N-methyl-2-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 175356691
2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988908
2-N,6-dimethyl-4-N-(3-oxabicyclo[3.1.0]hexan-6-yl)pyridine-2,4-dicarboxamide
CID 131997114
6-[(1R)-2-methoxy-1-phenylethyl]-2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
CID 138571832

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide (CID 131988817) is 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2COC2)cc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
The InChIKey is DOGWKUXBISUIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-19-18(23)16-9-13(17(22)21-15-10-24-11-15)8-14(20-16)7-12-5-3-2-4-6-12/h2-6,8-9,15H,7,10-11H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide?
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 131988817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).