(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone

C14H22N4O — CID 104691838

IUPAC(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(NN)nc1
InChIInChI=1S/C14H22N4O/c1-2-12-6-4-3-5-9-18(12)14(19)11-7-8-13(17-15)16-10-11/h7-8,10,12H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyQTFXCTUNDYBOFL-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.16
Rot. Bonds3

About (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone

(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone (PubChem CID 104691838) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
PubChem CID104691838
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccc(NN)nc1
InChIInChI=1S/C14H22N4O/c1-2-12-6-4-3-5-9-18(12)14(19)11-7-8-13(17-15)16-10-11/h7-8,10,12H,2-6,9,15H2,1H3,(H,16,17)
InChIKeyQTFXCTUNDYBOFL-UHFFFAOYSA-N
XLogP2.16
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.16
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

[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(cyclopropylamino)-3-pyridinyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 97314114
[6-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109151990
ethyl 4-[[5-(2-ethylpiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 109161686
(2-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378063
(2-ethylpiperidin-1-yl)-(4-hydrazinylphenyl)methanone
CID 62242268
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594
(2-ethylpiperidin-1-yl)-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]methanone
CID 109161690
[6-(ethylamino)-3-pyridinyl]-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62165751
[2-(cyclohexylamino)pyrimidin-5-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109250530
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
The IUPAC name of (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone (CID 104691838) is (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone is CCC1CCCCCN1C(=O)c1ccc(NN)nc1.
What is the InChIKey of (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
The InChIKey is QTFXCTUNDYBOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-12-6-4-3-5-9-18(12)14(19)11-7-8-13(17-15)16-10-11/h7-8,10,12H,2-6,9,15H2,1H3,(H,16,17).
What are the key properties of (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone?
(2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone has a molecular weight of 262.36 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone is sourced from PubChem (CID 104691838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).