N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol

C18H21FN4O2 — CID 145230400

IUPACN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
SMILESCO.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC2CC2C1
InChIInChI=1S/C17H17FN4O.CH4O/c18-13-3-1-10(2-4-13)15-6-5-14(19)16(20-15)21-17(23)22-8-11-7-12(11)9-22;1-2/h1-6,11-12H,7-9,19H2,(H,20,21,23);2H,1H3
InChIKeyURORIEVSRPHYDL-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.56
Rot. Bonds2

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol (PubChem CID 145230400) has the molecular formula C18H21FN4O2 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol.

Molecular Properties

Compound NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
PubChem CID145230400
Molecular FormulaC18H21FN4O2
Molecular Weight344.39 g/mol
Exact Mass344.16
IUPAC NameN-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol
SMILESCO.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC2CC2C1
InChIInChI=1S/C17H17FN4O.CH4O/c18-13-3-1-10(2-4-13)15-6-5-14(19)16(20-15)21-17(23)22-8-11-7-12(11)9-22;1-2/h1-6,11-12H,7-9,19H2,(H,20,21,23);2H,1H3
InChIKeyURORIEVSRPHYDL-UHFFFAOYSA-N
XLogP2.56
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
CID 153394093
N-(3-amino-6-phenyl-2-pyridinyl)azetidine-1-carboxamide
CID 162464588
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(4,6-dimethylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 157484665
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 146525529
N-[3-amino-6-(4-fluoro-2-methylphenyl)-2-pyridinyl]-3-[(5-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide
CID 159511705
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide
CID 149278130
N-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-3-(pyrazin-2-ylmethyl)azetidine-1-carboxamide
CID 147018729
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-[(1R,5S)-6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 160529791
(3R)-N-[3-amino-6-(2-fluorophenyl)-2-pyridinyl]-3-pyrimidin-2-ylpyrrolidine-1-carboxamide
CID 166727446
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-fluoro-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-methoxy-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]azetidine-1-carboxamide
CID 158788791
3-[(1,3-dimethyl-2H-imidazol-2-yl)methyl]-3-fluoro-N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]azetidine-1-carboxamide
CID 147840887
2-tert-butyl-6-(4-fluorophenyl)pyridin-3-amine
CID 58488157

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol?
The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol (CID 145230400) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol.
What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol?
The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol is CO.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC2CC2C1.
What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol?
The InChIKey is URORIEVSRPHYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O.CH4O/c18-13-3-1-10(2-4-13)15-6-5-14(19)16(20-15)21-17(23)22-8-11-7-12(11)9-22;1-2/h1-6,11-12H,7-9,19H2,(H,20,21,23);2H,1H3.
What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol?
N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol has a molecular weight of 344.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-3-carboxamide;methanol is sourced from PubChem (CID 145230400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).