5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide

C21H25N3O3 — CID 109107451

IUPAC5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H25N3O3/c1-3-17-8-6-7-11-24(17)21(26)16-12-15(13-22-14-16)20(25)23-18-9-4-5-10-19(18)27-2/h4-5,9-10,12-14,17H,3,6-8,11H2,1-2H3,(H,23,25)
InChIKeyBGIMBTGSHRWOED-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.75
Rot. Bonds5

About 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide

5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 109107451) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID109107451
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H25N3O3/c1-3-17-8-6-7-11-24(17)21(26)16-12-15(13-22-14-16)20(25)23-18-9-4-5-10-19(18)27-2/h4-5,9-10,12-14,17H,3,6-8,11H2,1-2H3,(H,23,25)
InChIKeyBGIMBTGSHRWOED-UHFFFAOYSA-N
XLogP3.75
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide (CID 109107451) is 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide is CCC1CCCCN1C(=O)c1cncc(C(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is BGIMBTGSHRWOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-17-8-6-7-11-24(17)21(26)16-12-15(13-22-14-16)20(25)23-18-9-4-5-10-19(18)27-2/h4-5,9-10,12-14,17H,3,6-8,11H2,1-2H3,(H,23,25).
What are the key properties of 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide?
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109107451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).