2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide

C13H19ClN4O2 — CID 114433679

IUPAC2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCCCn1ncc(NCC(=O)NC2CC2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-2-3-6-18-13(20)12(14)10(7-16-18)15-8-11(19)17-9-4-5-9/h7,9,15H,2-6,8H2,1H3,(H,17,19)
InChIKeyPWATWIMIGHYUAF-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.39
Rot. Bonds7

About 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide

2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide (PubChem CID 114433679) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
PubChem CID114433679
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide
SMILESCCCCn1ncc(NCC(=O)NC2CC2)c(Cl)c1=O
InChIInChI=1S/C13H19ClN4O2/c1-2-3-6-18-13(20)12(14)10(7-16-18)15-8-11(19)17-9-4-5-9/h7,9,15H,2-6,8H2,1H3,(H,17,19)
InChIKeyPWATWIMIGHYUAF-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

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Related Compounds

2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-N-cyclopropylacetamide
CID 114433701
4-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylbutanamide
CID 114440058
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
2-butyl-4-chloro-5-[(4-hydroxycyclohexyl)methylamino]pyridazin-3-one
CID 106136841
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
2-butyl-4-chloro-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one
CID 114439715
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
2-butyl-4-chloro-5-(thian-4-ylamino)pyridazin-3-one
CID 114443013
2-butyl-4-chloro-5-[(3,4-dimethylcyclohexyl)amino]pyridazin-3-one
CID 114439041
2-butyl-4-chloro-5-[(2-methylcyclopropyl)amino]pyridazin-3-one
CID 114437041

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide (CID 114433679) is 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide is CCCCn1ncc(NCC(=O)NC2CC2)c(Cl)c1=O.
What is the InChIKey of 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide?
The InChIKey is PWATWIMIGHYUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2/c1-2-3-6-18-13(20)12(14)10(7-16-18)15-8-11(19)17-9-4-5-9/h7,9,15H,2-6,8H2,1H3,(H,17,19).
What are the key properties of 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide?
2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide 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 2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 114433679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).