N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide

C16H18N4O2 — CID 122280767

IUPACN-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCCn1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H18N4O2/c21-15(9-12-3-2-6-17-11-12)18-7-8-20-16(22)10-13-4-1-5-14(13)19-20/h2-3,6,10-11H,1,4-5,7-9H2,(H,18,21)
InChIKeyYEIIDTMOSJCBHO-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.49
Rot. Bonds5

About N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide

N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide (PubChem CID 122280767) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide
PubChem CID122280767
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)NCCn1nc2c(cc1=O)CCC2
InChIInChI=1S/C16H18N4O2/c21-15(9-12-3-2-6-17-11-12)18-7-8-20-16(22)10-13-4-1-5-14(13)19-20/h2-3,6,10-11H,1,4-5,7-9H2,(H,18,21)
InChIKeyYEIIDTMOSJCBHO-UHFFFAOYSA-N
XLogP0.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 122277144
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]pyridine-3-sulfonamide
CID 122280910
2-(4-nitrophenyl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280460
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 122277375
N-[2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)ethyl]benzamide
CID 46961824
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 122277270
2-chloro-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]benzamide
CID 122160633
4-fluoro-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277170
3-methyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277171
N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 122277494
2-(3-methoxyphenoxy)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277213
3,4-dimethyl-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]benzamide
CID 122277173

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide (CID 122280767) is N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)NCCn1nc2c(cc1=O)CCC2.
What is the InChIKey of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide?
The InChIKey is YEIIDTMOSJCBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(9-12-3-2-6-17-11-12)18-7-8-20-16(22)10-13-4-1-5-14(13)19-20/h2-3,6,10-11H,1,4-5,7-9H2,(H,18,21).
What are the key properties of N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide?
N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide has a molecular weight of 298.35 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 122280767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).