2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride

C17H21ClFN3O — CID 66811171

IUPAC2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(C)CNc1cc(C(N)C(=O)c2ccc(F)cc2)ccn1.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-11(2)10-21-15-9-13(7-8-20-15)16(19)17(22)12-3-5-14(18)6-4-12;/h3-9,11,16H,10,19H2,1-2H3,(H,20,21);1H
InChIKeyCVBKWZKSHQGHLI-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.59
Rot. Bonds6

About 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride

2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride (PubChem CID 66811171) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride
PubChem CID66811171
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride
SMILESCC(C)CNc1cc(C(N)C(=O)c2ccc(F)cc2)ccn1.Cl
InChIInChI=1S/C17H20FN3O.ClH/c1-11(2)10-21-15-9-13(7-8-20-15)16(19)17(22)12-3-5-14(18)6-4-12;/h3-9,11,16H,10,19H2,1-2H3,(H,20,21);1H
InChIKeyCVBKWZKSHQGHLI-UHFFFAOYSA-N
XLogP3.59
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride 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-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 151123049
methyl 4-[[2-(2-methylpropylamino)pyridine-4-carbonyl]amino]benzoate
CID 109165776
2-(2-hydroxypropylamino)pyridine-4-carboxamide
CID 130671464
2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009609
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
1-[1-[2-(2-methylpropylamino)-4-pyridinyl]ethyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 151010205
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
4-fluoro-N-methyl-N-[4-(2-methylpropylamino)-1,3-thiazol-2-yl]benzamide
CID 24805186
[1-(2-bromo-4-pyridinyl)-2-(4-fluorophenyl)-2-oxoethyl]azanium chloride
CID 11131760
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109165736
N-[2-(3-chlorophenyl)ethyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165762

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride (CID 66811171) is 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride is CC(C)CNc1cc(C(N)C(=O)c2ccc(F)cc2)ccn1.Cl.
What is the InChIKey of 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride?
The InChIKey is CVBKWZKSHQGHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O.ClH/c1-11(2)10-21-15-9-13(7-8-20-15)16(19)17(22)12-3-5-14(18)6-4-12;/h3-9,11,16H,10,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride?
2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride has a molecular weight of 337.83 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorophenyl)-2-[2-(2-methylpropylamino)-4-pyridinyl]ethanone;hydrochloride is sourced from PubChem (CID 66811171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).