4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide

C13H19ClN4O2 — CID 114440058

IUPAC4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCCn1ncc(NCCCC(=O)NC2CC2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-2-18-13(20)12(14)10(8-16-18)15-7-3-4-11(19)17-9-5-6-9/h8-9,15H,2-7H2,1H3,(H,17,19)
InChIKeyPHMNPRLSWMWRGG-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.39
Rot. Bonds7

About 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide

4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide (PubChem CID 114440058) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide
PubChem CID114440058
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide
SMILESCCn1ncc(NCCCC(=O)NC2CC2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-2-18-13(20)12(14)10(8-16-18)15-7-3-4-11(19)17-9-5-6-9/h8-9,15H,2-7H2,1H3,(H,17,19)
InChIKeyPHMNPRLSWMWRGG-UHFFFAOYSA-N
XLogP1.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
CID 114433679
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-cyclopropylacetamide
CID 114433701
4-chloro-2-ethyl-5-(hex-5-ynylamino)pyridazin-3-one
CID 106214539
4-chloro-2-ethyl-5-[(4-ethylcyclohexyl)amino]pyridazin-3-one
CID 114435432
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
4-chloro-5-[(1-cyclopropylcyclopropyl)methylamino]-2-ethylpyridazin-3-one
CID 114096448
2-[2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]ethoxy]acetamide
CID 106239358
4-[(4-chloro-1,3-diethylpyrazol-5-yl)methylamino]-N-cyclopropylbutanamide
CID 79377561
3-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-2,2-dimethylpropanamide
CID 114167431
4-chloro-2-ethyl-5-(thian-4-ylamino)pyridazin-3-one
CID 114443011
4-chloro-2-ethyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440472

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide (CID 114440058) is 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide is CCn1ncc(NCCCC(=O)NC2CC2)c(Cl)c1=O.
What is the InChIKey of 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide?
The InChIKey is PHMNPRLSWMWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-2-18-13(20)12(14)10(8-16-18)15-7-3-4-11(19)17-9-5-6-9/h8-9,15H,2-7H2,1H3,(H,17,19).
What are the key properties of 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide?
4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide has a molecular weight of 298.77 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 114440058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).