N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

C21H22N4O2 — CID 109090269

IUPACN-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C21H22N4O2/c1-2-18-8-3-4-11-25(18)21(27)19-13-16(9-10-23-19)20(26)24-17-7-5-6-15(12-17)14-22/h5-7,9-10,12-13,18H,2-4,8,11H2,1H3,(H,24,26)
InChIKeyRXDNEFGWORCJHJ-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.61
Rot. Bonds4

About N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090269) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090269
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1
InChIInChI=1S/C21H22N4O2/c1-2-18-8-3-4-11-25(18)21(27)19-13-16(9-10-23-19)20(26)24-17-7-5-6-15(12-17)14-22/h5-7,9-10,12-13,18H,2-4,8,11H2,1H3,(H,24,26)
InChIKeyRXDNEFGWORCJHJ-UHFFFAOYSA-N
XLogP3.61
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081935
N-(3-cyanophenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264308
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
N-(3-acetylphenyl)-3-(2-ethylpiperidine-1-carbonyl)benzamide
CID 109056486
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
4-N-(4-acetamidophenyl)-2-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109093227
2-N-(3-cyanophenyl)-4-N-propylpyridine-2,4-dicarboxamide
CID 109077804
2-N-(3-chloro-2-methylphenyl)-4-N-(3-cyanophenyl)pyridine-2,4-dicarboxamide
CID 109092910

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109090269) is N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is CCC1CCCCN1C(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccn1.
What is the InChIKey of N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is RXDNEFGWORCJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-18-8-3-4-11-25(18)21(27)19-13-16(9-10-23-19)20(26)24-17-7-5-6-15(12-17)14-22/h5-7,9-10,12-13,18H,2-4,8,11H2,1H3,(H,24,26).
What are the key properties of N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).