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

C24H31N3O2 — CID 109090159

IUPACN-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C24H31N3O2/c1-5-18-10-8-9-15-27(18)23(29)17-13-14-25-21(16-17)22(28)26-20-12-7-6-11-19(20)24(2,3)4/h6-7,11-14,16,18H,5,8-10,15H2,1-4H3,(H,26,28)
InChIKeyUXIVAWBJVFEFBS-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.04
Rot. Bonds4

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

N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109090159) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109090159
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C24H31N3O2/c1-5-18-10-8-9-15-27(18)23(29)17-13-14-25-21(16-17)22(28)26-20-12-7-6-11-19(20)24(2,3)4/h6-7,11-14,16,18H,5,8-10,15H2,1-4H3,(H,26,28)
InChIKeyUXIVAWBJVFEFBS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099646
N-(2,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090195
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427
N-(2-ethoxyphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090246
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190
(2-ethylpiperidin-1-yl)-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109175655
4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
[2-(2-bromoanilino)-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109175669

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109090159) is N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide is CCC1CCCCN1C(=O)c1ccnc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is UXIVAWBJVFEFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-18-10-8-9-15-27(18)23(29)17-13-14-25-21(16-17)22(28)26-20-12-7-6-11-19(20)24(2,3)4/h6-7,11-14,16,18H,5,8-10,15H2,1-4H3,(H,26,28).
What are the key properties of N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-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-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109090159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).