5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C16H17F2N3 — CID 169284575

IUPAC5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(CNC2CC2)cn1
InChIInChI=1S/C16H17F2N3/c17-14-2-1-3-15(18)13(14)10-21-16-7-4-11(9-20-16)8-19-12-5-6-12/h1-4,7,9,12,19H,5-6,8,10H2,(H,20,21)
InChIKeyKZXXQBVSYBTTEQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.22
Rot. Bonds6

About 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 169284575) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
PubChem CID169284575
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(CNC2CC2)cn1
InChIInChI=1S/C16H17F2N3/c17-14-2-1-3-15(18)13(14)10-21-16-7-4-11(9-20-16)8-19-12-5-6-12/h1-4,7,9,12,19H,5-6,8,10H2,(H,20,21)
InChIKeyKZXXQBVSYBTTEQ-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-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 169284575) is 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is Fc1cccc(F)c1CNc1ccc(CNC2CC2)cn1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is KZXXQBVSYBTTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-14-2-1-3-15(18)13(14)10-21-16-7-4-11(9-20-16)8-19-12-5-6-12/h1-4,7,9,12,19H,5-6,8,10H2,(H,20,21).
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
5-[(cyclopropylamino)methyl]-N-[(2,6-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-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 169284575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).