2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

C20H23N3O3 — CID 109096140

IUPAC2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C20H23N3O3/c1-14-5-2-6-15(11-14)12-21-19(24)17-8-3-9-18(23-17)20(25)22-13-16-7-4-10-26-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyZLCBPQUSFJBMIY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.23
Rot. Bonds6

About 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096140) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109096140
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cccc(C(=O)NCC3CCCO3)n2)c1
InChIInChI=1S/C20H23N3O3/c1-14-5-2-6-15(11-14)12-21-19(24)17-8-3-9-18(23-17)20(25)22-13-16-7-4-10-26-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,21,24)(H,22,25)
InChIKeyZLCBPQUSFJBMIY-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
6-N-(2,4-dimethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096195
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109096140) is 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is Cc1cccc(CNC(=O)c2cccc(C(=O)NCC3CCCO3)n2)c1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is ZLCBPQUSFJBMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-2-6-15(11-14)12-21-19(24)17-8-3-9-18(23-17)20(25)22-13-16-7-4-10-26-16/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3,(H,21,24)(H,22,25).
What are the key properties of 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).