(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone

C13H20N4O — CID 81249569

IUPAC(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCC(C)(C)C2)cn1
InChIInChI=1S/C13H20N4O/c1-9-6-11(16-14)10(7-15-9)12(18)17-5-4-13(2,3)8-17/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyHJUYSHWOKRMRSP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds2

About (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone

(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone (PubChem CID 81249569) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
PubChem CID81249569
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
SMILESCc1cc(NN)c(C(=O)N2CCC(C)(C)C2)cn1
InChIInChI=1S/C13H20N4O/c1-9-6-11(16-14)10(7-15-9)12(18)17-5-4-13(2,3)8-17/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyHJUYSHWOKRMRSP-UHFFFAOYSA-N
XLogP1.55
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
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

(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
(4-amino-6-methyl-3-pyridinyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 81246007
(3,4-dihydroxypyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 106673912
1,3-dihydroisoindol-2-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81255936
(4-hydrazinyl-6-methyl-3-pyridinyl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 81248549
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432
(4-hydrazinyl-6-methyl-3-pyridinyl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81249245
(4-hydrazinyl-6-methyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81256605
4-(4-hydrazinyl-6-methylpyridine-3-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 81249436
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone
CID 81256931
[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 (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone (CID 81249569) is (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone is Cc1cc(NN)c(C(=O)N2CCC(C)(C)C2)cn1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
The InChIKey is HJUYSHWOKRMRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-9-6-11(16-14)10(7-15-9)12(18)17-5-4-13(2,3)8-17/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone?
(3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-(4-hydrazinyl-6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 81249569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).