N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

C14H21N3O3 — CID 122280194

IUPACN-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCOCC(C)NC(=O)C(C)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C14H21N3O3/c1-9(8-20-3)15-14(19)10(2)17-13(18)7-11-5-4-6-12(11)16-17/h7,9-10H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyLPPQLFZWSZRDNS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.44
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide

N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (PubChem CID 122280194) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
PubChem CID122280194
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
SMILESCOCC(C)NC(=O)C(C)n1nc2c(cc1=O)CCC2
InChIInChI=1S/C14H21N3O3/c1-9(8-20-3)15-14(19)10(2)17-13(18)7-11-5-4-6-12(11)16-17/h7,9-10H,4-6,8H2,1-3H3,(H,15,19)
InChIKeyLPPQLFZWSZRDNS-UHFFFAOYSA-N
XLogP0.44
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide (CID 122280194) is N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is COCC(C)NC(=O)C(C)n1nc2c(cc1=O)CCC2.
What is the InChIKey of N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
The InChIKey is LPPQLFZWSZRDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-9(8-20-3)15-14(19)10(2)17-13(18)7-11-5-4-6-12(11)16-17/h7,9-10H,4-6,8H2,1-3H3,(H,15,19).
What are the key properties of N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide?
N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide is sourced from PubChem (CID 122280194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).