4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile

C15H18FN3 — CID 59030646

IUPAC4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cn2)CCC(NC2CC2)CC1
InChIInChI=1S/C15H18FN3/c16-11-1-4-14(18-9-11)15(10-17)7-5-13(6-8-15)19-12-2-3-12/h1,4,9,12-13,19H,2-3,5-8H2
InChIKeyBIGQCYWNTGFQPW-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.68
Rot. Bonds3

About 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile

4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile (PubChem CID 59030646) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile
PubChem CID59030646
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cn2)CCC(NC2CC2)CC1
InChIInChI=1S/C15H18FN3/c16-11-1-4-14(18-9-11)15(10-17)7-5-13(6-8-15)19-12-2-3-12/h1,4,9,12-13,19H,2-3,5-8H2
InChIKeyBIGQCYWNTGFQPW-UHFFFAOYSA-N
XLogP2.68
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile (CID 59030646) is 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile is N#CC1(c2ccc(F)cn2)CCC(NC2CC2)CC1.
What is the InChIKey of 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile?
The InChIKey is BIGQCYWNTGFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c16-11-1-4-14(18-9-11)15(10-17)7-5-13(6-8-15)19-12-2-3-12/h1,4,9,12-13,19H,2-3,5-8H2.
What are the key properties of 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile?
4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile has a molecular weight of 259.33 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-1-(5-fluoro-2-pyridinyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 59030646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).