2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide

C16H22N4O2 — CID 5075262

IUPAC2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)C(=O)NNC1=CCCCCCC1
InChIInChI=1S/C16H22N4O2/c21-15(18-12-14-10-6-7-11-17-14)16(22)20-19-13-8-4-2-1-3-5-9-13/h6-8,10-11,19H,1-5,9,12H2,(H,18,21)(H,20,22)
InChIKeyBFHRVEBNBTZGFO-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.56
Rot. Bonds4

About 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide

2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 5075262) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
PubChem CID5075262
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(NCc1ccccn1)C(=O)NNC1=CCCCCCC1
InChIInChI=1S/C16H22N4O2/c21-15(18-12-14-10-6-7-11-17-14)16(22)20-19-13-8-4-2-1-3-5-9-13/h6-8,10-11,19H,1-5,9,12H2,(H,18,21)(H,20,22)
InChIKeyBFHRVEBNBTZGFO-UHFFFAOYSA-N
XLogP1.56
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-(pyridin-2-ylmethyl)oxamide
CID 2844203
N-benzyl-N'-(pyridin-2-ylmethyl)oxamide
CID 3109924
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]oxamide
CID 71676617
1-amino-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 24708548
N'-anthracen-9-yl-N-(pyridin-2-ylmethyl)oxamide
CID 166445054
1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109052433
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
2-(hydroxyamino)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 3676320
N'-[(1S,2S)-2-methylcyclohexyl]-N-(pyridin-2-ylmethyl)oxamide
CID 124605707
N-[2-(2-fluorophenyl)ethyl]-N'-(pyridin-2-ylmethyl)oxamide
CID 108985064

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide (CID 5075262) is 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide is O=C(NCc1ccccn1)C(=O)NNC1=CCCCCCC1.
What is the InChIKey of 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is BFHRVEBNBTZGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-15(18-12-14-10-6-7-11-17-14)16(22)20-19-13-8-4-2-1-3-5-9-13/h6-8,10-11,19H,1-5,9,12H2,(H,18,21)(H,20,22).
What are the key properties of 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide?
2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cycloocten-1-yl)hydrazinyl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 5075262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).