6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine

C18H19F4N3 — CID 172994066

IUPAC6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(-c2cc(CN3CCC(F)(F)CC3)cc(F)c2F)c1
InChIInChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
InChIKeyUDTZICNKNULRRC-UHFFFAOYSA-N
MW353.36 g/mol
LogP4.15
Rot. Bonds3

About 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine

6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine (PubChem CID 172994066) has the molecular formula C18H19F4N3 and a molecular weight of 353.36 g/mol. Its IUPAC name is 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine
PubChem CID172994066
Molecular FormulaC18H19F4N3
Molecular Weight353.36 g/mol
Exact Mass353.15
IUPAC Name6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(-c2cc(CN3CCC(F)(F)CC3)cc(F)c2F)c1
InChIInChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24)
InChIKeyUDTZICNKNULRRC-UHFFFAOYSA-N
XLogP4.15
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine?
The IUPAC name of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine (CID 172994066) is 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine.
What is the SMILES notation for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine?
The canonical SMILES for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine is Cc1cc(N)nc(-c2cc(CN3CCC(F)(F)CC3)cc(F)c2F)c1.
What is the InChIKey of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine?
The InChIKey is UDTZICNKNULRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F4N3/c1-11-6-15(24-16(23)7-11)13-8-12(9-14(19)17(13)20)10-25-4-2-18(21,22)3-5-25/h6-9H,2-5,10H2,1H3,(H2,23,24).
What are the key properties of 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine?
6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine has a molecular weight of 353.36 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(4,4-difluoropiperidin-1-yl)methyl]-2,3-difluorophenyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 172994066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).