5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine

C21H26F3N3 — CID 71063416

IUPAC5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cccc(C(F)F)c2F)ncc1CNCC1CCC1
InChIInChI=1S/C21H26F3N3/c1-13(2)17-9-19(26-12-15(17)11-25-10-14-5-3-6-14)27-18-8-4-7-16(20(18)22)21(23)24/h4,7-9,12-14,21,25H,3,5-6,10-11H2,1-2H3,(H,26,27)
InChIKeyLJFQJBJXOPGULE-UHFFFAOYSA-N
MW377.45 g/mol
LogP5.91
Rot. Bonds8

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

5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine (PubChem CID 71063416) has the molecular formula C21H26F3N3 and a molecular weight of 377.45 g/mol. Its IUPAC name is 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine
PubChem CID71063416
Molecular FormulaC21H26F3N3
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC Name5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine
SMILESCC(C)c1cc(Nc2cccc(C(F)F)c2F)ncc1CNCC1CCC1
InChIInChI=1S/C21H26F3N3/c1-13(2)17-9-19(26-12-15(17)11-25-10-14-5-3-6-14)27-18-8-4-7-16(20(18)22)21(23)24/h4,7-9,12-14,21,25H,3,5-6,10-11H2,1-2H3,(H,26,27)
InChIKeyLJFQJBJXOPGULE-UHFFFAOYSA-N
XLogP5.91
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.45
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-fluorophenyl)-5-[(cyclobutylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine
CID 11355359
5-[(cyclobutylmethylamino)methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
CID 11240305
5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 11304398
tetrakis(N-(3-chlorophenyl)-5-[(cyclopropylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine);formic acid
CID 11982256
N-(3-chlorophenyl)-5-[(cyclopentylmethylamino)methyl]-4-propan-2-ylpyrimidin-2-amine;hydrochloride
CID 11639816
1-cyclopropyl-N-[(2,3-difluorophenyl)methyl]methanamine
CID 43658793
3-[[(2,3-difluorophenyl)methylamino]methyl]cyclohexan-1-ol
CID 103699998
6-[2-bromo-4-(trifluoromethoxy)anilino]-N-(cyclobutylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731844
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694
5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
CID 69129248
6-(2-bromo-4-chloroanilino)-N-(cyclopentylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731760
6-[2-fluoro-3-(trifluoromethyl)anilino]-N-(2-methylpropyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731692

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine?
The IUPAC name of 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine (CID 71063416) is 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine?
The canonical SMILES for 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine is CC(C)c1cc(Nc2cccc(C(F)F)c2F)ncc1CNCC1CCC1.
What is the InChIKey of 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine?
The InChIKey is LJFQJBJXOPGULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F3N3/c1-13(2)17-9-19(26-12-15(17)11-25-10-14-5-3-6-14)27-18-8-4-7-16(20(18)22)21(23)24/h4,7-9,12-14,21,25H,3,5-6,10-11H2,1-2H3,(H,26,27).
What are the key properties of 5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine?
5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine has a molecular weight of 377.45 g/mol, XLogP of 5.91, 8 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-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 71063416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).