N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide

C18H22N2O2 — CID 111422570

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)14-9-7-13(8-10-14)16(21)12-20-17(22)15-6-4-5-11-19-15/h4-11,16,21H,12H2,1-3H3,(H,20,22)
InChIKeyJZQIXALPYLEZNK-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.84
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide (PubChem CID 111422570) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
PubChem CID111422570
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2ccccn2)cc1
InChIInChI=1S/C18H22N2O2/c1-18(2,3)14-9-7-13(8-10-14)16(21)12-20-17(22)15-6-4-5-11-19-15/h4-11,16,21H,12H2,1-3H3,(H,20,22)
InChIKeyJZQIXALPYLEZNK-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 86980947
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111422585
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
N-(2-bromo-2-phenylethyl)pyridine-2-carboxamide
CID 114308424
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]benzamide
CID 119792647
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethyl-2-(pyridin-2-ylmethyl)guanidine
CID 109492874
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
methyl 2-iodo-3-(pyridine-2-carbonylamino)propanoate
CID 103493160

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide (CID 111422570) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
The InChIKey is JZQIXALPYLEZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(2,3)14-9-7-13(8-10-14)16(21)12-20-17(22)15-6-4-5-11-19-15/h4-11,16,21H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide is sourced from PubChem (CID 111422570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).