3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

C20H23N3O3 — CID 109103889

IUPAC3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-14-5-2-3-6-15(14)12-22-19(24)16-9-17(11-21-10-16)20(25)23-13-18-7-4-8-26-18/h2-3,5-6,9-11,18H,4,7-8,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyFVICEZQRYYGUQG-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.23
Rot. Bonds6

About 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103889) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103889
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-14-5-2-3-6-15(14)12-22-19(24)16-9-17(11-21-10-16)20(25)23-13-18-7-4-8-26-18/h2-3,5-6,9-11,18H,4,7-8,12-13H2,1H3,(H,22,24)(H,23,25)
InChIKeyFVICEZQRYYGUQG-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

4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-[(2-chlorophenyl)methylamino]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228749
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
N-[(2-methylphenyl)methyl]-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109343712
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231985
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928
5-N-(5-methyl-1,2-oxazol-3-yl)-3-N-[(2-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105168

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103889) is 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is Cc1ccccc1CNC(=O)c1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is FVICEZQRYYGUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-5-2-3-6-15(14)12-22-19(24)16-9-17(11-21-10-16)20(25)23-13-18-7-4-8-26-18/h2-3,5-6,9-11,18H,4,7-8,12-13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-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 3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).