(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C15H23N5O — CID 81249245

IUPAC(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H23N5O/c1-10-7-14(18-16)13(8-17-10)15(21)20-6-5-11-3-4-12(9-20)19(11)2/h7-8,11-12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyJAGOUHUEKATLQT-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.98
Rot. Bonds2

About (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 81249245) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID81249245
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCC3CCC(C2)N3C)cn1
InChIInChI=1S/C15H23N5O/c1-10-7-14(18-16)13(8-17-10)15(21)20-6-5-11-3-4-12(9-20)19(11)2/h7-8,11-12H,3-6,9,16H2,1-2H3,(H,17,18)
InChIKeyJAGOUHUEKATLQT-UHFFFAOYSA-N
XLogP0.98
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone with MolForge

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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-(trifluoromethyl)piperidin-1-yl]methanone
CID 81248549
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
(4-hydrazinyl-3-methylphenyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79166049
(2-hydrazinyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 79170497
(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81249569
(4-hydrazinyl-6-methyl-3-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81249021
8-azaspiro[4.5]decan-8-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81245839
(2-amino-5-chloro-4-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 114923992
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 81249245) is (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is Cc1cc(NN)c(C(=O)N2CCC3CCC(C2)N3C)cn1.
What is the InChIKey of (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is JAGOUHUEKATLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10-7-14(18-16)13(8-17-10)15(21)20-6-5-11-3-4-12(9-20)19(11)2/h7-8,11-12H,3-6,9,16H2,1-2H3,(H,17,18).
What are the key properties of (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 81249245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).