N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide

C24H31N3O2 — CID 109099646

IUPACN-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C24H31N3O2/c1-5-17-11-8-9-16-27(17)23(29)21-15-10-14-20(25-21)22(28)26-19-13-7-6-12-18(19)24(2,3)4/h6-7,10,12-15,17H,5,8-9,11,16H2,1-4H3,(H,26,28)
InChIKeyUIDRDVAZOMJTFD-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.04
Rot. Bonds4

About N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109099646) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109099646
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)n1
InChIInChI=1S/C24H31N3O2/c1-5-17-11-8-9-16-27(17)23(29)21-15-10-14-20(25-21)22(28)26-19-13-7-6-12-18(19)24(2,3)4/h6-7,10,12-15,17H,5,8-9,11,16H2,1-4H3,(H,26,28)
InChIKeyUIDRDVAZOMJTFD-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-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
N-(2,6-dimethylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099638
N-(2-tert-butylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312487
N-(2,5-dimethoxyphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099666
N-(3-chloro-4-methylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099656
6-(2-ethylpiperidine-1-carbonyl)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109098541
(2-ethylpiperidin-1-yl)-(6-hydrazinyl-2-pyridinyl)methanone
CID 62242086
N-ethyl-6-(2-ethylpiperidine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109099642
2-N-butyl-6-N-(2-tert-butylphenyl)pyridine-2,6-dicarboxamide
CID 109094300
4-(2-ethylpiperidine-1-carbonyl)-N-(2-methylphenyl)benzamide
CID 109048897
[6-(ethylamino)-2-pyridinyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637898

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109099646) is N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide is CCC1CCCCN1C(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)n1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is UIDRDVAZOMJTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-17-11-8-9-16-27(17)23(29)21-15-10-14-20(25-21)22(28)26-19-13-7-6-12-18(19)24(2,3)4/h6-7,10,12-15,17H,5,8-9,11,16H2,1-4H3,(H,26,28).
What are the key properties of N-(2-tert-butylphenyl)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-(2-tert-butylphenyl)-6-(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)-6-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109099646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).