2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile

C18H19FN4 — CID 166365177

IUPAC2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2(c3ccccc3F)CCCC2)ccnc1N
InChIInChI=1S/C18H19FN4/c19-15-6-2-1-5-14(15)18(8-3-4-9-18)12-23-16-7-10-22-17(21)13(16)11-20/h1-2,5-7,10H,3-4,8-9,12H2,(H3,21,22,23)
InChIKeyMBHIGOGEKKOCHI-UHFFFAOYSA-N
MW310.38 g/mol
LogP3.60
Rot. Bonds4

About 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile

2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile (PubChem CID 166365177) has the molecular formula C18H19FN4 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
PubChem CID166365177
Molecular FormulaC18H19FN4
Molecular Weight310.38 g/mol
Exact Mass310.16
IUPAC Name2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
SMILESN#Cc1c(NCC2(c3ccccc3F)CCCC2)ccnc1N
InChIInChI=1S/C18H19FN4/c19-15-6-2-1-5-14(15)18(8-3-4-9-18)12-23-16-7-10-22-17(21)13(16)11-20/h1-2,5-7,10H,3-4,8-9,12H2,(H3,21,22,23)
InChIKeyMBHIGOGEKKOCHI-UHFFFAOYSA-N
XLogP3.60
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile
CID 166365328
2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile
CID 166291813
1-[1-(2-fluorophenyl)cyclohexyl]-N-methylmethanamine
CID 62595690
N-[[1-(2-fluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 63516012
N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyrazin-2-amine
CID 133311528
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
CID 133491706
2-fluoro-6-[(1-methylsulfanylcyclopropyl)methylamino]benzonitrile
CID 107269115
2-fluoro-6-[(4-hydroxy-1,1-dioxothian-4-yl)methylamino]benzonitrile
CID 86769475
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048
3-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]pyrazine-2-carbonitrile
CID 133491875

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile (CID 166365177) is 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile is N#Cc1c(NCC2(c3ccccc3F)CCCC2)ccnc1N.
What is the InChIKey of 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
The InChIKey is MBHIGOGEKKOCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4/c19-15-6-2-1-5-14(15)18(8-3-4-9-18)12-23-16-7-10-22-17(21)13(16)11-20/h1-2,5-7,10H,3-4,8-9,12H2,(H3,21,22,23).
What are the key properties of 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile?
2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile has a molecular weight of 310.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 166365177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).