N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide

C14H24N4O2 — CID 103221610

IUPACN-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCC(C)CNc1cnn(CC(=O)NC(C)(C)C)c(=O)c1
InChIInChI=1S/C14H24N4O2/c1-10(2)7-15-11-6-13(20)18(16-8-11)9-12(19)17-14(3,4)5/h6,8,10,15H,7,9H2,1-5H3,(H,17,19)
InChIKeyPDTQNAOQZGXNAG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds5

About N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide

N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide (PubChem CID 103221610) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
PubChem CID103221610
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide
SMILESCC(C)CNc1cnn(CC(=O)NC(C)(C)C)c(=O)c1
InChIInChI=1S/C14H24N4O2/c1-10(2)7-15-11-6-13(20)18(16-8-11)9-12(19)17-14(3,4)5/h6,8,10,15H,7,9H2,1-5H3,(H,17,19)
InChIKeyPDTQNAOQZGXNAG-UHFFFAOYSA-N
XLogP1.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103218568
2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]-N-(2-methylbutan-2-yl)acetamide
CID 103223627
2-[2-(2-methylpropoxy)ethyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 106460207
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-tert-butylacetamide
CID 103222790
2-[4-(cyclopropylmethylamino)-6-oxopyridazin-1-yl]-N-propan-2-ylacetamide
CID 103221884
2-(3-ethylsulfanylpropyl)-5-(2-methylpropylamino)pyridazin-3-one
CID 103221727
5-(2-methylpropylamino)-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
CID 103221517
2-[(2,3-dichlorophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 107313022
2-[4-(methylamino)-6-oxopyridazin-1-yl]-N-pentan-3-ylacetamide
CID 103218532
2-[(3-bromophenyl)methyl]-5-(2-methylpropylamino)pyridazin-3-one
CID 103221567
2-[4-(2-aminoethylamino)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 103221101
N-ethyl-2-[4-[2-(methylamino)ethylamino]-6-oxopyridazin-1-yl]acetamide
CID 103223616

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide (CID 103221610) is N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide is CC(C)CNc1cnn(CC(=O)NC(C)(C)C)c(=O)c1.
What is the InChIKey of N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is PDTQNAOQZGXNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)7-15-11-6-13(20)18(16-8-11)9-12(19)17-14(3,4)5/h6,8,10,15H,7,9H2,1-5H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide?
N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 280.37 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(2-methylpropylamino)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 103221610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).