5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide

C20H26N2O2 — CID 71499387

IUPAC5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCc1cccc(OCc2ccc(C(=O)NCC(C)CC)nc2)c1
InChIInChI=1S/C20H26N2O2/c1-4-15(3)12-22-20(23)19-10-9-17(13-21-19)14-24-18-8-6-7-16(5-2)11-18/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,23)
InChIKeyWIFIZEHLSVKUDD-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.00
Rot. Bonds8

About 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide

5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide (PubChem CID 71499387) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
PubChem CID71499387
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCc1cccc(OCc2ccc(C(=O)NCC(C)CC)nc2)c1
InChIInChI=1S/C20H26N2O2/c1-4-15(3)12-22-20(23)19-10-9-17(13-21-19)14-24-18-8-6-7-16(5-2)11-18/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,23)
InChIKeyWIFIZEHLSVKUDD-UHFFFAOYSA-N
XLogP4.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide
CID 90250253
1-[5-[(3-ethylphenoxy)methyl]-2-pyridinyl]-6-methyloctan-1-one
CID 123488997
5-(aminomethyl)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 63723883
N-(2,2-dimethoxyethyl)-5-[[3-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
CID 71499321
5-bromo-N-(2-methylbutyl)pyridine-2-carboxamide
CID 55210499
5-[(3-fluoro-5-methylphenoxy)methyl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 90250251
N-ethyl-5-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 62195699
N,N-dimethyl-5-[[3-(2-methylbutyl)phenoxy]methyl]pyridin-2-amine
CID 139506620
1-ethyl-3-[(4-propan-2-ylphenyl)methoxy]benzene
CID 60644477
5-[(3-bromo-5-fluorophenoxy)methyl]-N-(2,2-dimethoxyethyl)pyridine-2-carboxamide
CID 71499388
N-(3-amino-2-methylpropyl)-3-[(3-methylphenyl)methoxy]benzamide;hydrochloride
CID 119995953
3-methyl-1-(3-phenylmethoxyphenyl)pentan-1-one
CID 105091669

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide (CID 71499387) is 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide is CCc1cccc(OCc2ccc(C(=O)NCC(C)CC)nc2)c1.
What is the InChIKey of 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is WIFIZEHLSVKUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-4-15(3)12-22-20(23)19-10-9-17(13-21-19)14-24-18-8-6-7-16(5-2)11-18/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,22,23).
What are the key properties of 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide?
5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylphenoxy)methyl]-N-(2-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 71499387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).