N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide

C18H21FN2O2 — CID 111458220

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2ccncc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-18(2,3)13-6-4-12(5-7-13)16(22)11-21-17(23)14-8-9-20-10-15(14)19/h4-10,16,22H,11H2,1-3H3,(H,21,23)
InChIKeyNOSZGZQISLYRRX-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.98
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide (PubChem CID 111458220) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
PubChem CID111458220
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2ccncc2F)cc1
InChIInChI=1S/C18H21FN2O2/c1-18(2,3)13-6-4-12(5-7-13)16(22)11-21-17(23)14-8-9-20-10-15(14)19/h4-10,16,22H,11H2,1-3H3,(H,21,23)
InChIKeyNOSZGZQISLYRRX-UHFFFAOYSA-N
XLogP2.98
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-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-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458227
N-(2,2-dimethylpropyl)-3-fluoropyridine-4-carboxamide
CID 115646049
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-1-methylpyrazole-4-carboxamide
CID 111422596
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]pyridine-2-carboxamide
CID 111422570
methyl 2-chloro-3-[(3-fluoropyridine-4-carbonyl)amino]propanoate
CID 103492743
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511
N-[2-(dimethylamino)-2-methylpropyl]-3-fluoropyridine-4-carboxamide
CID 115646224
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-methoxypyridine-4-carboxamide
CID 105062977
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide (CID 111458220) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)c2ccncc2F)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is NOSZGZQISLYRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-18(2,3)13-6-4-12(5-7-13)16(22)11-21-17(23)14-8-9-20-10-15(14)19/h4-10,16,22H,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.98, 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]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 111458220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).