N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide

C18H22N2O4 — CID 134053639

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C18H22N2O4/c1-5-24-18-15(7-6-10-19-18)17(21)20-12(2)14-9-8-13(22-3)11-16(14)23-4/h6-12H,5H2,1-4H3,(H,20,21)
InChIKeyFEAXKJBJBXLMGH-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.99
Rot. Bonds7

About N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide (PubChem CID 134053639) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
PubChem CID134053639
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC(C)c1ccc(OC)cc1OC
InChIInChI=1S/C18H22N2O4/c1-5-24-18-15(7-6-10-19-18)17(21)20-12(2)14-9-8-13(22-3)11-16(14)23-4/h6-12H,5H2,1-4H3,(H,20,21)
InChIKeyFEAXKJBJBXLMGH-UHFFFAOYSA-N
XLogP2.99
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-ethoxypyridine-3-carboxamide
CID 2110255
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134053802
2-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 84580740
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
3-[(2-ethoxypyridine-3-carbonyl)amino]butanoic acid
CID 119221242
2,6-dichloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 86846897
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2497678
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
N-[(1S)-1-(2,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-3-ylpyrrole-3-carboxamide
CID 97003423
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide (CID 134053639) is N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide is CCOc1ncccc1C(=O)NC(C)c1ccc(OC)cc1OC.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
The InChIKey is FEAXKJBJBXLMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-24-18-15(7-6-10-19-18)17(21)20-12(2)14-9-8-13(22-3)11-16(14)23-4/h6-12H,5H2,1-4H3,(H,20,21).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 134053639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).