5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine

C16H17F2N3 — CID 169284565

IUPAC5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccc(CNC3CC3)cn2)cc1F
InChIInChI=1S/C16H17F2N3/c17-14-5-1-11(7-15(14)18)8-20-16-6-2-12(10-21-16)9-19-13-3-4-13/h1-2,5-7,10,13,19H,3-4,8-9H2,(H,20,21)
InChIKeyWQDXATZXPARAQZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.22
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine

5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 169284565) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
PubChem CID169284565
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1ccc(CNc2ccc(CNC3CC3)cn2)cc1F
InChIInChI=1S/C16H17F2N3/c17-14-5-1-11(7-15(14)18)8-20-16-6-2-12(10-21-16)9-19-13-3-4-13/h1-2,5-7,10,13,19H,3-4,8-9H2,(H,20,21)
InChIKeyWQDXATZXPARAQZ-UHFFFAOYSA-N
XLogP3.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine (CID 169284565) is 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine is Fc1ccc(CNc2ccc(CNC3CC3)cn2)cc1F.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is WQDXATZXPARAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-5-1-11(7-15(14)18)8-20-16-6-2-12(10-21-16)9-19-13-3-4-13/h1-2,5-7,10,13,19H,3-4,8-9H2,(H,20,21).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 289.33 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 169284565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).