4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide

C20H22N4O2 — CID 131997123

IUPAC4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C3CNCC32)cc(Cc2ccccc2)n1
InChIInChI=1S/C20H22N4O2/c1-21-20(26)17-9-13(19(25)24-18-15-10-22-11-16(15)18)8-14(23-17)7-12-5-3-2-4-6-12/h2-6,8-9,15-16,18,22H,7,10-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyDEETXONJFXWURC-UHFFFAOYSA-N
MW350.42 g/mol
LogP0.98
Rot. Bonds5

About 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide

4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide (PubChem CID 131997123) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
PubChem CID131997123
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NC2C3CNCC32)cc(Cc2ccccc2)n1
InChIInChI=1S/C20H22N4O2/c1-21-20(26)17-9-13(19(25)24-18-15-10-22-11-16(15)18)8-14(23-17)7-12-5-3-2-4-6-12/h2-6,8-9,15-16,18,22H,7,10-11H2,1H3,(H,21,26)(H,24,25)
InChIKeyDEETXONJFXWURC-UHFFFAOYSA-N
XLogP0.98
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide with MolForge

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Related Compounds

6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-(1H-indol-4-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 155238143
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-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131988964
6-[(3-hydroxyphenyl)methyl]-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 138706673
2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
CID 131997421
2-[(3-hydroxyphenyl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 131988896
4-N-cyclopropyl-6-(1H-indol-3-ylmethyl)-2-N-methylpyridine-2,4-dicarboxamide
CID 145407052
2-N-methyl-6-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 131988908
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
4-(2-cyclopropylacetyl)-6-[(3-hydroxyphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 146818121

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide (CID 131997123) is 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NC2C3CNCC32)cc(Cc2ccccc2)n1.
What is the InChIKey of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
The InChIKey is DEETXONJFXWURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-21-20(26)17-9-13(19(25)24-18-15-10-22-11-16(15)18)8-14(23-17)7-12-5-3-2-4-6-12/h2-6,8-9,15-16,18,22H,7,10-11H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide?
4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide has a molecular weight of 350.42 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-azabicyclo[3.1.0]hexan-6-yl)-6-benzyl-2-N-methylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 131997123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).