5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine

C20H25F2N3 — CID 11240305

IUPAC5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CNCC1CCC1
InChIInChI=1S/C20H25F2N3/c1-13(2)19-9-20(25-18-7-16(21)6-17(22)8-18)24-12-15(19)11-23-10-14-4-3-5-14/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25)
InChIKeyAIMQLTJJSVKTNL-UHFFFAOYSA-N
MW345.44 g/mol
LogP5.12
Rot. Bonds7

About 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine

5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine (PubChem CID 11240305) has the molecular formula C20H25F2N3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
PubChem CID11240305
Molecular FormulaC20H25F2N3
Molecular Weight345.44 g/mol
Exact Mass345.20
IUPAC Name5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CNCC1CCC1
InChIInChI=1S/C20H25F2N3/c1-13(2)19-9-20(25-18-7-16(21)6-17(22)8-18)24-12-15(19)11-23-10-14-4-3-5-14/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25)
InChIKeyAIMQLTJJSVKTNL-UHFFFAOYSA-N
XLogP5.12
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.44
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine (CID 11240305) is 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine is CC(C)c1cc(Nc2cc(F)cc(F)c2)ncc1CNCC1CCC1.
What is the InChIKey of 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
The InChIKey is AIMQLTJJSVKTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3/c1-13(2)19-9-20(25-18-7-16(21)6-17(22)8-18)24-12-15(19)11-23-10-14-4-3-5-14/h6-9,12-14,23H,3-5,10-11H2,1-2H3,(H,24,25).
What are the key properties of 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine?
5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine has a molecular weight of 345.44 g/mol, XLogP of 5.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 11240305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).