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

C16H18N2O2 — CID 2450814

IUPAC2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2/c1-3-20-16-14(5-4-10-17-16)15(19)18-11-13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyPQQSNBAFHIXZTQ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.72
Rot. Bonds5

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

2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 2450814) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID2450814
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C16H18N2O2/c1-3-20-16-14(5-4-10-17-16)15(19)18-11-13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,18,19)
InChIKeyPQQSNBAFHIXZTQ-UHFFFAOYSA-N
XLogP2.72
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide (CID 2450814) is 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is PQQSNBAFHIXZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-20-16-14(5-4-10-17-16)15(19)18-11-13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,18,19).
What are the key properties of 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide?
2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 2450814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).