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

C21H25N3O4 — CID 109083280

IUPAC4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H25N3O4/c1-27-19-7-3-2-5-15(19)8-11-23-20(25)16-9-10-22-18(13-16)21(26)24-14-17-6-4-12-28-17/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyBEIVVYSIDZOZFD-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds8

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

4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (PubChem CID 109083280) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
PubChem CID109083280
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccccc1CCNC(=O)c1ccnc(C(=O)NCC2CCCO2)c1
InChIInChI=1S/C21H25N3O4/c1-27-19-7-3-2-5-15(19)8-11-23-20(25)16-9-10-22-18(13-16)21(26)24-14-17-6-4-12-28-17/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyBEIVVYSIDZOZFD-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

2-N-(oxolan-2-ylmethyl)-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109083276
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
4-N-[(2-methylphenyl)methyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083260
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
4-N-(2,4-dimethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083355
4-N-(2,6-diethylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083329
2-[(2-methoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300891
2-(cycloheptylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172729
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
2-N,2-N-diethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088102
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide (CID 109083280) is 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is COc1ccccc1CCNC(=O)c1ccnc(C(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
The InChIKey is BEIVVYSIDZOZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-19-7-3-2-5-15(19)8-11-23-20(25)16-9-10-22-18(13-16)21(26)24-14-17-6-4-12-28-17/h2-3,5,7,9-10,13,17H,4,6,8,11-12,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide?
4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-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 4-N-[2-(2-methoxyphenyl)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109083280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).