formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide

C20H20F3N3O3 — CID 155570632

IUPACformaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
SMILESC=O.CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H18F3N3O2.CH2O/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;1-2/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1H2
InChIKeyZUALJEHDUMDPOT-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.09
Rot. Bonds4

About formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide

formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide (PubChem CID 155570632) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Nameformaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
PubChem CID155570632
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Nameformaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
SMILESC=O.CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C19H18F3N3O2.CH2O/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;1-2/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1H2
InChIKeyZUALJEHDUMDPOT-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
CID 66939247
N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 142816904
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
2,4,6-trifluoro-N-[6-[hydroxy-(1-methylpiperidin-4-yl)-[3-(1-methylpiperidin-4-yl)oxiran-2-yl]methyl]-2-pyridinyl]benzamide
CID 166696740
ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016546
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;hydrochloride
CID 134818199
(6-amino-2-pyridinyl)-(1-methylpiperidin-4-yl)methanone;dihydrate;dihydrochloride
CID 163210129
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl] carbamate
CID 175007946
2,3,4-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide
CID 58997284

Frequently Asked Questions

What is the IUPAC name of formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
The IUPAC name of formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide (CID 155570632) is formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide.
What is the SMILES notation for formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
The canonical SMILES for formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide is C=O.CN1CCC(C(=O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.
What is the InChIKey of formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
The InChIKey is ZUALJEHDUMDPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2.CH2O/c1-25-7-5-11(6-8-25)18(26)15-3-2-4-16(23-15)24-19(27)17-13(21)9-12(20)10-14(17)22;1-2/h2-4,9-11H,5-8H2,1H3,(H,23,24,27);1H2.
What are the key properties of formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide?
formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide has a molecular weight of 407.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 155570632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).