2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide

C14H21N3O2 — CID 52903099

IUPAC2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C14H21N3O2/c1-10(2)15-13(18)9-17-14(19)8-11-6-4-3-5-7-12(11)16-17/h8,10H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyAQOOKXMOMFNHST-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.04
Rot. Bonds3

About 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide

2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide (PubChem CID 52903099) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
PubChem CID52903099
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1nc2c(cc1=O)CCCCC2
InChIInChI=1S/C14H21N3O2/c1-10(2)15-13(18)9-17-14(19)8-11-6-4-3-5-7-12(11)16-17/h8,10H,3-7,9H2,1-2H3,(H,15,18)
InChIKeyAQOOKXMOMFNHST-UHFFFAOYSA-N
XLogP1.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide with MolForge

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Related Compounds

N-(3-Methylbutyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 47004347
2-(2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido)acetic acid
CID 51054444
N-(2-methoxyethyl)-2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 53368580
2-{3-Oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-2-YL}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 75465554
N-(3-Methoxypropyl)-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465663
2-(3-Oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)-N-(propan-2-YL)acetamide
CID 75465688
N-(Butan-2-YL)-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-2-YL}acetamide
CID 75465714
N-Cyclopentyl-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-2-YL}acetamide
CID 75465719
2-{3-Oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[C]pyridazin-2-YL}-N-(prop-2-EN-1-YL)acetamide
CID 75465721
N-Cyclopropyl-2-(3-oxo-2,3,5,6,7,8-hexahydrocinnolin-2-YL)acetamide
CID 75465729
N'-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide
CID 9351957
N'-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-N-propan-2-yloxamide
CID 9351960

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide (CID 52903099) is 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1nc2c(cc1=O)CCCCC2.
What is the InChIKey of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide?
The InChIKey is AQOOKXMOMFNHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(2)15-13(18)9-17-14(19)8-11-6-4-3-5-7-12(11)16-17/h8,10H,3-7,9H2,1-2H3,(H,15,18).
What are the key properties of 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide?
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 52903099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).