2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

C20H23N3O3 — CID 109083276

IUPAC2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c24-19(22-10-8-15-5-2-1-3-6-15)16-9-11-21-18(13-16)20(25)23-14-17-7-4-12-26-17/h1-3,5-6,9,11,13,17H,4,7-8,10,12,14H2,(H,22,24)(H,23,25)
InChIKeyHXZAHDLFDCKXLT-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.96
Rot. Bonds7

About 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide

2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083276) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
PubChem CID109083276
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
SMILESO=C(NCCc1ccccc1)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C20H23N3O3/c24-19(22-10-8-15-5-2-1-3-6-15)16-9-11-21-18(13-16)20(25)23-14-17-7-4-12-26-17/h1-3,5-6,9,11,13,17H,4,7-8,10,12,14H2,(H,22,24)(H,23,25)
InChIKeyHXZAHDLFDCKXLT-UHFFFAOYSA-N
XLogP1.96
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083280
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
4-N-(furan-2-ylmethyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083258
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
4-N-(2,6-dichlorophenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083381
N-[2-(4-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167563
N-[2-(4-fluorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)pyridine-4-carboxamide
CID 109167551
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
6-(oxolan-2-ylmethylamino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109343757

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide (CID 109083276) is 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is O=C(NCCc1ccccc1)c1ccnc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
The InChIKey is HXZAHDLFDCKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(22-10-8-15-5-2-1-3-6-15)16-9-11-21-18(13-16)20(25)23-14-17-7-4-12-26-17/h1-3,5-6,9,11,13,17H,4,7-8,10,12,14H2,(H,22,24)(H,23,25).
What are the key properties of 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide?
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).