(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

C13H17F3N4O — CID 81248549

IUPAC(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(NN)c(C(=O)N2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H17F3N4O/c1-8-6-11(19-17)10(7-18-8)12(21)20-4-2-9(3-5-20)13(14,15)16/h6-7,9H,2-5,17H2,1H3,(H,18,19)
InChIKeyJTFMSASOACKPLD-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.09
Rot. Bonds2

About (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone

(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 81248549) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID81248549
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCc1cc(NN)c(C(=O)N2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C13H17F3N4O/c1-8-6-11(19-17)10(7-18-8)12(21)20-4-2-9(3-5-20)13(14,15)16/h6-7,9H,2-5,17H2,1H3,(H,18,19)
InChIKeyJTFMSASOACKPLD-UHFFFAOYSA-N
XLogP2.09
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,4-dihydroxypyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 106673912
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81249021
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81249245
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839
(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81249569
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
(5-bromo-2-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 168678080
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
N-cyclopropyl-4-hydrazinyl-6-methyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 81255905
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81240062
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone (CID 81248549) is (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is Cc1cc(NN)c(C(=O)N2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is JTFMSASOACKPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8-6-11(19-17)10(7-18-8)12(21)20-4-2-9(3-5-20)13(14,15)16/h6-7,9H,2-5,17H2,1H3,(H,18,19).
What are the key properties of (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone?
(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 302.30 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 81248549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).