3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

C21H25N3O4 — CID 109103911

IUPAC3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-18-6-4-15(5-7-18)8-9-23-20(25)16-11-17(13-22-12-16)21(26)24-14-19-3-2-10-28-19/h4-7,11-13,19H,2-3,8-10,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyVIGSTWFTEAZKKM-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.97
Rot. Bonds8

About 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide

3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (PubChem CID 109103911) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
PubChem CID109103911
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
SMILESCOc1ccc(CCNC(=O)c2cncc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C21H25N3O4/c1-27-18-6-4-15(5-7-18)8-9-23-20(25)16-11-17(13-22-12-16)21(26)24-14-19-3-2-10-28-19/h4-7,11-13,19H,2-3,8-10,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyVIGSTWFTEAZKKM-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-chlorophenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103917
2-N-[2-(4-methoxyphenyl)ethyl]-6-N-(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096161
N-[2-(4-methoxyphenyl)ethyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206939
4-N-[(4-methoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045580
5-(2,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109228852
N-[2-(4-methoxyphenyl)ethyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324560
N-[2-(4-methoxyphenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24538290
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950
5-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109226851
5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109106436
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103183
5-N-(2-methylpropyl)-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109102110

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide (CID 109103911) is 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is COc1ccc(CCNC(=O)c2cncc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
The InChIKey is VIGSTWFTEAZKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-27-18-6-4-15(5-7-18)8-9-23-20(25)16-11-17(13-22-12-16)21(26)24-14-19-3-2-10-28-19/h4-7,11-13,19H,2-3,8-10,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide?
3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-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 3-N-[2-(4-methoxyphenyl)ethyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109103911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).