2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

C21H25N3O4 — CID 109096161

IUPAC2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-16-9-7-15(8-10-16)11-12-22-20(25)18-5-2-6-19(24-18)21(26)23-14-17-4-3-13-28-17/h2,5-10,17H,3-4,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyXIMIDEBIYFPRDV-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds8

About 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide

2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (PubChem CID 109096161) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
PubChem CID109096161
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cccc(C(=O)NCC3CCCO3)n2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-16-9-7-15(8-10-16)11-12-22-20(25)18-5-2-6-19(24-18)21(26)23-14-17-4-3-13-28-17/h2,5-10,17H,3-4,11-14H2,1H3,(H,22,25)(H,23,26)
InChIKeyXIMIDEBIYFPRDV-UHFFFAOYSA-N
XLogP1.97
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103911
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
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
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324560
2-N-(3-methylbutyl)-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096180
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
6-N-tert-butyl-2-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096177
1-[(4-methoxyphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 7442981
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851
2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide (CID 109096161) is 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is COc1ccc(CCNC(=O)c2cccc(C(=O)NCC3CCCO3)n2)cc1.
What is the InChIKey of 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
The InChIKey is XIMIDEBIYFPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-16-9-7-15(8-10-16)11-12-22-20(25)18-5-2-6-19(24-18)21(26)23-14-17-4-3-13-28-17/h2,5-10,17H,3-4,11-14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide?
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109096161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).