2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride

C18H21Cl2F3N4O — CID 66939247

IUPAC2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.Cl.Cl
InChIInChI=1S/C18H19F3N4O.2ClH/c1-25-7-5-12(6-8-25)22-15-3-2-4-16(23-15)24-18(26)17-13(20)9-11(19)10-14(17)21;;/h2-4,9-10,12H,5-8H2,1H3,(H2,22,23,24,26);2*1H
InChIKeyCKTOAZWITVZIPI-UHFFFAOYSA-N
MW437.29 g/mol
LogP4.10
Rot. Bonds4

About 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride

2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride (PubChem CID 66939247) has the molecular formula C18H21Cl2F3N4O and a molecular weight of 437.29 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
PubChem CID66939247
Molecular FormulaC18H21Cl2F3N4O
Molecular Weight437.29 g/mol
Exact Mass436.10
IUPAC Name2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
SMILESCN1CCC(Nc2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.Cl.Cl
InChIInChI=1S/C18H19F3N4O.2ClH/c1-25-7-5-12(6-8-25)22-15-3-2-4-16(23-15)24-18(26)17-13(20)9-11(19)10-14(17)21;;/h2-4,9-10,12H,5-8H2,1H3,(H2,22,23,24,26);2*1H
InChIKeyCKTOAZWITVZIPI-UHFFFAOYSA-N
XLogP4.10
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284
2,4,6-trifluoro-N-[6-[hydroxy-(1-methylpiperidin-4-yl)-[3-(1-methylpiperidin-4-yl)oxiran-2-yl]methyl]-2-pyridinyl]benzamide
CID 166696740
N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016551
ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
CID 178016549
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016546
2,5-difluoro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 141257396
N-(1-methylpiperidin-4-yl)pyridin-2-amine;dihydrochloride
CID 174544706
CID 88581631
CID 88581631
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
CID 70639140
CID 70639140

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride?
The IUPAC name of 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride (CID 66939247) is 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride.
What is the SMILES notation for 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride?
The canonical SMILES for 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride is CN1CCC(Nc2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.Cl.Cl.
What is the InChIKey of 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride?
The InChIKey is CKTOAZWITVZIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O.2ClH/c1-25-7-5-12(6-8-25)22-15-3-2-4-16(23-15)24-18(26)17-13(20)9-11(19)10-14(17)21;;/h2-4,9-10,12H,5-8H2,1H3,(H2,22,23,24,26);2*1H.
What are the key properties of 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride?
2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride has a molecular weight of 437.29 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride is sourced from PubChem (CID 66939247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).