2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

C23H29N3O3 — CID 109088184

IUPAC2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C23H29N3O3/c1-3-19-6-4-5-15-26(19)23(28)21-16-18(12-14-24-21)22(27)25-13-11-17-7-9-20(29-2)10-8-17/h7-10,12,14,16,19H,3-6,11,13,15H2,1-2H3,(H,25,27)
InChIKeyPPJIDQIWUBZCNG-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.47
Rot. Bonds7

About 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109088184) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109088184
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccn1
InChIInChI=1S/C23H29N3O3/c1-3-19-6-4-5-15-26(19)23(28)21-16-18(12-14-24-21)22(27)25-13-11-17-7-9-20(29-2)10-8-17/h7-10,12,14,16,19H,3-6,11,13,15H2,1-2H3,(H,25,27)
InChIKeyPPJIDQIWUBZCNG-UHFFFAOYSA-N
XLogP3.47
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
4-N-cyclohexyl-2-N-[2-(4-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109081392
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-[2-(4-chlorophenyl)ethyl]-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109055680
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
4-(2-ethylpiperidine-1-carbonyl)-N-(2-phenylethyl)benzamide
CID 109047836
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109088184) is 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is CCC1CCCCN1C(=O)c1cc(C(=O)NCCc2ccc(OC)cc2)ccn1.
What is the InChIKey of 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is PPJIDQIWUBZCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-3-19-6-4-5-15-26(19)23(28)21-16-18(12-14-24-21)22(27)25-13-11-17-7-9-20(29-2)10-8-17/h7-10,12,14,16,19H,3-6,11,13,15H2,1-2H3,(H,25,27).
What are the key properties of 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109088184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).