N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide

C12H18N4O2 — CID 59751935

IUPACN-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C12H18N4O2/c1-2-10(17)13-7-5-9-11-8(4-3-6-14-11)12(18)16-15-9/h14H,2-7H2,1H3,(H,13,17)(H,16,18)
InChIKeyBCYMMTGMXBNBHU-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds4

About N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide

N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide (PubChem CID 59751935) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide
PubChem CID59751935
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1n[nH]c(=O)c2c1NCCC2
InChIInChI=1S/C12H18N4O2/c1-2-10(17)13-7-5-9-11-8(4-3-6-14-11)12(18)16-15-9/h14H,2-7H2,1H3,(H,13,17)(H,16,18)
InChIKeyBCYMMTGMXBNBHU-UHFFFAOYSA-N
XLogP0.20
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide?
The IUPAC name of N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide (CID 59751935) is N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide is CCC(=O)NCCc1n[nH]c(=O)c2c1NCCC2.
What is the InChIKey of N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide?
The InChIKey is BCYMMTGMXBNBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-10(17)13-7-5-9-11-8(4-3-6-14-11)12(18)16-15-9/h14H,2-7H2,1H3,(H,13,17)(H,16,18).
What are the key properties of N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide?
N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-oxo-2,3,4,6-tetrahydro-1H-pyrido[2,3-d]pyridazin-8-yl)ethyl]propanamide is sourced from PubChem (CID 59751935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).