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

C20H23N3O3 — CID 109103951

IUPAC5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-2-14-6-3-4-8-18(14)23-20(25)16-10-15(11-21-12-16)19(24)22-13-17-7-5-9-26-17/h3-4,6,8,10-12,17H,2,5,7,9,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyRHJMDVXVAJQDHC-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.81
Rot. Bonds6

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

5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103951) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103951
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCCc1ccccc1NC(=O)c1cncc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c1-2-14-6-3-4-8-18(14)23-20(25)16-10-15(11-21-12-16)19(24)22-13-17-7-5-9-26-17/h3-4,6,8,10-12,17H,2,5,7,9,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyRHJMDVXVAJQDHC-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
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-[(2-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103889
1-(2-ethylphenyl)-3-(oxolan-2-ylmethyl)urea
CID 3764609
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
5-N-(2,5-dichlorophenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104008
5-N-cyclopropyl-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109101623
4-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045638
5-(2-tert-butylanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228826
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
N-[2-(oxolan-2-ylmethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 4922681
3-N-butyl-5-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109102007

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103951) is 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is CCc1ccccc1NC(=O)c1cncc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is RHJMDVXVAJQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-14-6-3-4-8-18(14)23-20(25)16-10-15(11-21-12-16)19(24)22-13-17-7-5-9-26-17/h3-4,6,8,10-12,17H,2,5,7,9,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylphenyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).