(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone

C13H20N4O — CID 83222002

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
SMILESCCC1CCC(C)N1C(=O)c1ccnc(NN)c1
InChIInChI=1S/C13H20N4O/c1-3-11-5-4-9(2)17(11)13(18)10-6-7-15-12(8-10)16-14/h6-9,11H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyBDKZLHJUUYRJTL-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds3

About (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone

(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone (PubChem CID 83222002) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
PubChem CID83222002
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
SMILESCCC1CCC(C)N1C(=O)c1ccnc(NN)c1
InChIInChI=1S/C13H20N4O/c1-3-11-5-4-9(2)17(11)13(18)10-6-7-15-12(8-10)16-14/h6-9,11H,3-5,14H2,1-2H3,(H,15,16)
InChIKeyBDKZLHJUUYRJTL-UHFFFAOYSA-N
XLogP1.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
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

[2-(ethylamino)-4-pyridinyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83173918
(2-hydrazinyl-4-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 62235741
(6-amino-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83221125
(2-ethyl-5-methylpyrrolidin-1-yl)-(4-hydrazinyl-3-pyridinyl)methanone
CID 83222083
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 104968822
(6-chloro-3-pyridinyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83135395
[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83220835
(3,5-dimethoxy-4-methylphenyl)-[(2S,5R)-2-ethyl-5-methylpyrrolidin-1-yl]methanone
CID 97256072
(3,4-dimethoxypyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone
CID 103538720
(3-amino-5-methylphenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 113396247
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylpyridine-4-carboxamide
CID 62244029
(2-hydrazinyl-4-pyridinyl)-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 102886398

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone (CID 83222002) is (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone is CCC1CCC(C)N1C(=O)c1ccnc(NN)c1.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
The InChIKey is BDKZLHJUUYRJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-3-11-5-4-9(2)17(11)13(18)10-6-7-15-12(8-10)16-14/h6-9,11H,3-5,14H2,1-2H3,(H,15,16).
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone has a molecular weight of 248.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-(2-hydrazinyl-4-pyridinyl)methanone is sourced from PubChem (CID 83222002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).