N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

C24H31N3O2 — CID 109090231

IUPACN-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1
InChIInChI=1S/C24H31N3O2/c1-5-20-8-6-7-15-27(20)23(29)21-16-17(13-14-25-21)22(28)26-19-11-9-18(10-12-19)24(2,3)4/h9-14,16,20H,5-8,15H2,1-4H3,(H,26,28)
InChIKeyPZNLUTWIVJHPNH-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.04
Rot. Bonds4

About N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide

N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109090231) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109090231
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
SMILESCCC1CCCCN1C(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1
InChIInChI=1S/C24H31N3O2/c1-5-20-8-6-7-15-27(20)23(29)21-16-17(13-14-25-21)22(28)26-19-11-9-18(10-12-19)24(2,3)4/h9-14,16,20H,5-8,15H2,1-4H3,(H,26,28)
InChIKeyPZNLUTWIVJHPNH-UHFFFAOYSA-N
XLogP5.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-(3-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090269
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090251
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
[5-(4-tert-butylanilino)pyrazin-2-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109288519
2-(2-ethylpiperidine-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109086886
[4-[2-(dimethylamino)ethylamino]-2-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109207330
2-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088184
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090207
(2-ethylpiperidin-1-yl)-[4-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109217972

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide (CID 109090231) is N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is CCC1CCCCN1C(=O)c1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)ccn1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is PZNLUTWIVJHPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-20-8-6-7-15-27(20)23(29)21-16-17(13-14-25-21)22(28)26-19-11-9-18(10-12-19)24(2,3)4/h9-14,16,20H,5-8,15H2,1-4H3,(H,26,28).
What are the key properties of N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide?
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109090231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).