2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide

C18H22N2O3 — CID 86967623

IUPAC2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2ccnc(OCC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-11-23-16-7-5-14(6-8-16)13-20-18(21)15-9-10-19-17(12-15)22-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,21)
InChIKeyHCOCDMDAXZWMMP-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.20
Rot. Bonds8

About 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide

2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide (PubChem CID 86967623) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
PubChem CID86967623
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2ccnc(OCC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-11-23-16-7-5-14(6-8-16)13-20-18(21)15-9-10-19-17(12-15)22-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,21)
InChIKeyHCOCDMDAXZWMMP-UHFFFAOYSA-N
XLogP3.20
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
N-[(4-butoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192120
3-nitro-N-[(4-propoxyphenyl)methyl]benzamide
CID 71822488
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077649
4-[2-methoxyethyl(methyl)amino]-N-[(4-propoxyphenyl)methyl]pyridine-2-carboxamide
CID 99801113
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-(cyclohexylmethyl)-2-ethoxypyridine-4-carboxamide
CID 59355729
N-benzyl-3-ethoxy-4-propoxybenzamide
CID 4264811
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide (CID 86967623) is 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide is CCCOc1ccc(CNC(=O)c2ccnc(OCC)c2)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is HCOCDMDAXZWMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-11-23-16-7-5-14(6-8-16)13-20-18(21)15-9-10-19-17(12-15)22-4-2/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide?
2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-propoxyphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 86967623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).