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

C20H23N3O3 — CID 109103890

IUPAC3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cncc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H23N3O3/c1-14-4-2-5-15(8-14)10-22-19(24)16-9-17(12-21-11-16)20(25)23-13-18-6-3-7-26-18/h2,4-5,8-9,11-12,18H,3,6-7,10,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyNCHYHJDTXKQMCY-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.23
Rot. Bonds6

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

3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103890) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103890
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCc1cccc(CNC(=O)c2cncc(C(=O)NCC3CCCO3)c2)c1
InChIInChI=1S/C20H23N3O3/c1-14-4-2-5-15(8-14)10-22-19(24)16-9-17(12-21-11-16)20(25)23-13-18-6-3-7-26-18/h2,4-5,8-9,11-12,18H,3,6-7,10,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyNCHYHJDTXKQMCY-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

2-N-[(3-methylphenyl)methyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096140
3-N-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
5-(2,5-dimethylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 93231190
3-N-(oxolan-2-ylmethyl)-5-N-phenylpyridine-3,5-dicarboxamide
CID 109103938
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103951
5-N-cycloheptyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103928

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103890) is 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is Cc1cccc(CNC(=O)c2cncc(C(=O)NCC3CCCO3)c2)c1.
What is the InChIKey of 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is NCHYHJDTXKQMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-4-2-5-15(8-14)10-22-19(24)16-9-17(12-21-11-16)20(25)23-13-18-6-3-7-26-18/h2,4-5,8-9,11-12,18H,3,6-7,10,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[(3-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-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).