N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride

C17H22Cl2FN3O — CID 119525380

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccncc2F)cc1.Cl.Cl
InChIInChI=1S/C17H20FN3O.2ClH/c1-11(2)12-3-5-13(6-4-12)16(19)10-21-17(22)14-7-8-20-9-15(14)18;;/h3-9,11,16H,10,19H2,1-2H3,(H,21,22);2*1H
InChIKeyLAEWXHWWRCDACD-UHFFFAOYSA-N
MW374.29 g/mol
LogP3.62
Rot. Bonds5

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride (PubChem CID 119525380) has the molecular formula C17H22Cl2FN3O and a molecular weight of 374.29 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
PubChem CID119525380
Molecular FormulaC17H22Cl2FN3O
Molecular Weight374.29 g/mol
Exact Mass373.11
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2ccncc2F)cc1.Cl.Cl
InChIInChI=1S/C17H20FN3O.2ClH/c1-11(2)12-3-5-13(6-4-12)16(19)10-21-17(22)14-7-8-20-9-15(14)18;;/h3-9,11,16H,10,19H2,1-2H3,(H,21,22);2*1H
InChIKeyLAEWXHWWRCDACD-UHFFFAOYSA-N
XLogP3.62
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-4-methylbenzamide
CID 119526803
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-fluoro-3-methylbenzamide
CID 119527349
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-(4-tert-butylphenyl)-2-hydroxyethyl]-3-fluoropyridine-4-carboxamide
CID 111458220
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119526384
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-chloro-6-fluorobenzamide
CID 119527099
2-acetyl-N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 119525343
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide;hydrochloride
CID 119526238
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-4-fluoro-2-nitrobenzamide;hydrochloride
CID 119525524

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride (CID 119525380) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2ccncc2F)cc1.Cl.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride?
The InChIKey is LAEWXHWWRCDACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O.2ClH/c1-11(2)12-3-5-13(6-4-12)16(19)10-21-17(22)14-7-8-20-9-15(14)18;;/h3-9,11,16H,10,19H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride has a molecular weight of 374.29 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119525380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).