6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

C20H23N3O3 — CID 138571886

IUPAC6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCC2CCCO2)cc(Cc2ccccc2)n1
InChIInChI=1S/C20H23N3O3/c1-21-20(25)18-12-15(19(24)22-13-17-8-5-9-26-17)11-16(23-18)10-14-6-3-2-4-7-14/h2-4,6-7,11-12,17H,5,8-10,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyUEZDMDGXGXGKSR-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.94
Rot. Bonds6

About 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide

6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 138571886) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID138571886
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)NCC2CCCO2)cc(Cc2ccccc2)n1
InChIInChI=1S/C20H23N3O3/c1-21-20(25)18-12-15(19(24)22-13-17-8-5-9-26-17)11-16(23-18)10-14-6-3-2-4-7-14/h2-4,6-7,11-12,17H,5,8-10,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyUEZDMDGXGXGKSR-UHFFFAOYSA-N
XLogP1.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-6-[(3-methylphenyl)methyl]-4-N-(2-morpholin-2-ylethyl)pyridine-2,4-dicarboxamide
CID 131997421
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
2-[benzyl(ethyl)amino]-6-methyl-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109324706
2-chloro-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 55042257
6-benzyl-4-N-[2-(3,3-difluoropiperidin-4-yl)ethyl]-2-N-methylpyridine-2,4-dicarboxamide
CID 131988964
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
N-(oxolan-2-ylmethyl)-5-(phenylmethoxymethyl)-1,2-oxazole-3-carboxamide
CID 90326032
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
2-methyl-N-(oxolan-2-ylmethyl)-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360386

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 138571886) is 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is CNC(=O)c1cc(C(=O)NCC2CCCO2)cc(Cc2ccccc2)n1.
What is the InChIKey of 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is UEZDMDGXGXGKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-21-20(25)18-12-15(19(24)22-13-17-8-5-9-26-17)11-16(23-18)10-14-6-3-2-4-7-14/h2-4,6-7,11-12,17H,5,8-10,13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
6-benzyl-2-N-methyl-4-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.94, 6 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-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 138571886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).