N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

C22H27N3O4 — CID 109090251

IUPACN-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccn1
InChIInChI=1S/C22H27N3O4/c1-4-16-7-5-6-12-25(16)22(27)19-13-15(10-11-23-19)21(26)24-18-14-17(28-2)8-9-20(18)29-3/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,24,26)
InChIKeyKMUMTBSTJZAEJR-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.76
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090251) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090251
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccn1
InChIInChI=1S/C22H27N3O4/c1-4-16-7-5-6-12-25(16)22(27)19-13-15(10-11-23-19)21(26)24-18-14-17(28-2)8-9-20(18)29-3/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,24,26)
InChIKeyKMUMTBSTJZAEJR-UHFFFAOYSA-N
XLogP3.76
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175691
N-(2,5-dimethoxyphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099666
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)-2-oxoacetamide
CID 108511917
N-(2,4-dimethoxyphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107460
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109090251) is N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is CCC1CCCCN1C(=O)c1cc(C(=O)Nc2cc(OC)ccc2OC)ccn1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is KMUMTBSTJZAEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-16-7-5-6-12-25(16)22(27)19-13-15(10-11-23-19)21(26)24-18-14-17(28-2)8-9-20(18)29-3/h8-11,13-14,16H,4-7,12H2,1-3H3,(H,24,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).