(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C13H20N4O2 — CID 81249021

IUPAC(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCC(C)(O)CC2)cn1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(16-14)10(8-15-9)12(18)17-5-3-13(2,19)4-6-17/h7-8,19H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyDMBRJCUXZMVJPO-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.66
Rot. Bonds2

About (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone

(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 81249021) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID81249021
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCC(C)(O)CC2)cn1
InChIInChI=1S/C13H20N4O2/c1-9-7-11(16-14)10(8-15-9)12(18)17-5-3-13(2,19)4-6-17/h7-8,19H,3-6,14H2,1-2H3,(H,15,16)
InChIKeyDMBRJCUXZMVJPO-UHFFFAOYSA-N
XLogP0.66
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81249569
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839
(3,4-dihydroxypyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 106673912
(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 81248549
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
(2-hydrazinyl-5-methylphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107408587
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81256931
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81249245
[6-methyl-4-(methylamino)-3-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 81243142
4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 81249436

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 81249021) is (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is Cc1cc(NN)c(C(=O)N2CCC(C)(O)CC2)cn1.
What is the InChIKey of (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is DMBRJCUXZMVJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-11(16-14)10(8-15-9)12(18)17-5-3-13(2,19)4-6-17/h7-8,19H,3-6,14H2,1-2H3,(H,15,16).
What are the key properties of (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 264.33 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 81249021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).