N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide

C21H19F3N4O3 — CID 178016551

IUPACN-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C21H19F3N4O3/c22-13-10-14(23)18(15(24)11-13)19(29)26-17-3-1-2-16(25-17)21(31)28-8-6-27(7-9-28)20(30)12-4-5-12/h1-3,10-12H,4-9H2,(H,25,26,29)
InChIKeyDOBGRZLWCQNSFR-UHFFFAOYSA-N
MW432.40 g/mol
LogP2.45
Rot. Bonds4

About N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide

N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide (PubChem CID 178016551) has the molecular formula C21H19F3N4O3 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide.

Molecular Properties

Compound NameN-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
PubChem CID178016551
Molecular FormulaC21H19F3N4O3
Molecular Weight432.40 g/mol
Exact Mass432.14
IUPAC NameN-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)n1)c1c(F)cc(F)cc1F
InChIInChI=1S/C21H19F3N4O3/c22-13-10-14(23)18(15(24)11-13)19(29)26-17-3-1-2-16(25-17)21(31)28-8-6-27(7-9-28)20(30)12-4-5-12/h1-3,10-12H,4-9H2,(H,25,26,29)
InChIKeyDOBGRZLWCQNSFR-UHFFFAOYSA-N
XLogP2.45
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;N-[6-(4-ethylpiperazine-1-carbonyl)-2-pyridinyl]-2,4,6-trifluorobenzamide
CID 178016546
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
cyclopropyl-[4-(6-methylpyridine-2-carbonyl)piperazin-1-yl]methanone
CID 32890940
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
cyclopropyl-[4-(2,3-difluorobenzoyl)piperazin-1-yl]methanone
CID 62648905
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 119307957
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
N-(3-fluorophenyl)-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094901
ethane;methanamine;2,4,6-trifluoro-N-[6-[hydroxy-(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]benzamide
CID 178016549
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 84573425
cyclopropyl-[4-(naphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 9389888

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide (CID 178016551) is N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide.
What is the SMILES notation for N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The canonical SMILES for N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide is O=C(Nc1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2)n1)c1c(F)cc(F)cc1F.
What is the InChIKey of N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
The InChIKey is DOBGRZLWCQNSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O3/c22-13-10-14(23)18(15(24)11-13)19(29)26-17-3-1-2-16(25-17)21(31)28-8-6-27(7-9-28)20(30)12-4-5-12/h1-3,10-12H,4-9H2,(H,25,26,29).
What are the key properties of N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide?
N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide has a molecular weight of 432.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-2-pyridinyl]-2,4,6-trifluorobenzamide is sourced from PubChem (CID 178016551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).