2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

C16H18N2O3 — CID 1478068

IUPAC2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3/c1-3-21-16-14(5-4-10-17-16)15(19)18-11-12-6-8-13(20-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyXSLKPANBWVKEEO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.42
Rot. Bonds6

About 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide

2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 1478068) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID1478068
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C16H18N2O3/c1-3-21-16-14(5-4-10-17-16)15(19)18-11-12-6-8-13(20-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyXSLKPANBWVKEEO-UHFFFAOYSA-N
XLogP2.42
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide (CID 1478068) is 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is XSLKPANBWVKEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-21-16-14(5-4-10-17-16)15(19)18-11-12-6-8-13(20-2)9-7-12/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1478068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).