2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

C18H22N2O2 — CID 4794993

IUPAC2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-22-18-16(10-7-13-19-18)17(21)20-14(2)11-12-15-8-5-4-6-9-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyOGNOYQQDMBBXSU-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds7

About 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide

2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (PubChem CID 4794993) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
PubChem CID4794993
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C18H22N2O2/c1-3-22-18-16(10-7-13-19-18)17(21)20-14(2)11-12-15-8-5-4-6-9-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyOGNOYQQDMBBXSU-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
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-phenylbutan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide (CID 4794993) is 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is CCOc1ncccc1C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
The InChIKey is OGNOYQQDMBBXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-22-18-16(10-7-13-19-18)17(21)20-14(2)11-12-15-8-5-4-6-9-15/h4-10,13-14H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide?
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 4794993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).