ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide

C23H36F3N5O2 — CID 178016549

IUPACethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
SMILESCC.CC.CN.CN1CCN(C(O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C18H19F3N4O2.2C2H6.CH5N/c1-24-5-7-25(8-6-24)18(27)14-3-2-4-15(22-14)23-17(26)16-12(20)9-11(19)10-13(16)21;3*1-2/h2-4,9-10,18,27H,5-8H2,1H3,(H,22,23,26);2*1-2H3;2H2,1H3
InChIKeyRPRIIWFZKHSVMF-UHFFFAOYSA-N
MW471.57 g/mol
LogP3.62
Rot. Bonds4

About ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide

ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide (PubChem CID 178016549) has the molecular formula C23H36F3N5O2 and a molecular weight of 471.57 g/mol. Its IUPAC name is ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Nameethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
PubChem CID178016549
Molecular FormulaC23H36F3N5O2
Molecular Weight471.57 g/mol
Exact Mass471.28
IUPAC Nameethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
SMILESCC.CC.CN.CN1CCN(C(O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1
InChIInChI=1S/C18H19F3N4O2.2C2H6.CH5N/c1-24-5-7-25(8-6-24)18(27)14-3-2-4-15(22-14)23-17(26)16-12(20)9-11(19)10-13(16)21;3*1-2/h2-4,9-10,18,27H,5-8H2,1H3,(H,22,23,26);2*1-2H3;2H2,1H3
InChIKeyRPRIIWFZKHSVMF-UHFFFAOYSA-N
XLogP3.62
TPSA94.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.57
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

formaldehyde;2,4,6-trifluoro-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 155570632
2,4,6-trifluoro-N-[6-[(1-methylpiperidin-4-yl)amino]-2-pyridinyl]benzamide;dihydrochloride
CID 66939247
ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016546
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
2,6-difluoro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 86992589
2,4-difluoro-N-[6-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]benzamide;hydrochloride
CID 69074371
N-(2,4-difluorophenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84574184
N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]cyclopropanecarboxamide
CID 59789355
5-fluoro-N-[6-[(1-methylpiperidin-4-ylidene)methyl]-2-pyridinyl]pyridine-2-carboxamide
CID 146420199
2,4,6-trifluoro-N-[4-(1-hydroxyethyl)phenyl]benzamide
CID 65100671
5-bromo-2-hydroxy-N-[6-(1-methylpiperidine-4-carbonyl)-2-pyridinyl]benzamide
CID 142816904

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide?
The IUPAC name of ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide (CID 178016549) is ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide.
What is the SMILES notation for ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide?
The canonical SMILES for ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide is CC.CC.CN.CN1CCN(C(O)c2cccc(NC(=O)c3c(F)cc(F)cc3F)n2)CC1.
What is the InChIKey of ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide?
The InChIKey is RPRIIWFZKHSVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2.2C2H6.CH5N/c1-24-5-7-25(8-6-24)18(27)14-3-2-4-15(22-14)23-17(26)16-12(20)9-11(19)10-13(16)21;3*1-2/h2-4,9-10,18,27H,5-8H2,1H3,(H,22,23,26);2*1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide?
ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide has a molecular weight of 471.57 g/mol, XLogP of 3.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 178016549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).