5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

C20H23N3O3 — CID 109103893

IUPAC5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-23(14-15-6-3-2-4-7-15)20(25)17-10-16(11-21-12-17)19(24)22-13-18-8-5-9-26-18/h2-4,6-7,10-12,18H,5,8-9,13-14H2,1H3,(H,22,24)
InChIKeyVSVOULOZEXEHBV-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.26
Rot. Bonds6

About 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103893) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103893
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-23(14-15-6-3-2-4-7-15)20(25)17-10-16(11-21-12-17)19(24)22-13-18-8-5-9-26-18/h2-4,6-7,10-12,18H,5,8-9,13-14H2,1H3,(H,22,24)
InChIKeyVSVOULOZEXEHBV-UHFFFAOYSA-N
XLogP2.26
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
N'-benzyl-N'-methyl-N-(oxolan-2-ylmethyl)propanediamide
CID 108943617
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
3-N-[2-(4-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
5-(4-benzylpiperazin-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228768
6-[benzyl(ethyl)amino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153623
N-(oxolan-2-ylmethyl)-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109103915
5-N-benzyl-3-N-(furan-2-ylmethyl)-5-N-methylpyridine-3,5-dicarboxamide
CID 109104838

Frequently Asked Questions

What is the IUPAC name of 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103893) is 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is CN(Cc1ccccc1)C(=O)c1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is VSVOULOZEXEHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-23(14-15-6-3-2-4-7-15)20(25)17-10-16(11-21-12-17)19(24)22-13-18-8-5-9-26-18/h2-4,6-7,10-12,18H,5,8-9,13-14H2,1H3,(H,22,24).
What are the key properties of 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).