6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide

C17H24N4O2 — CID 128508404

IUPAC6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1ccc(C2CC2)nn1)N1CCOCC(C2CCC2)C1
InChIInChI=1S/C17H24N4O2/c22-17(18-16-7-6-15(19-20-16)13-4-5-13)21-8-9-23-11-14(10-21)12-2-1-3-12/h6-7,12-14H,1-5,8-11H2,(H,18,20,22)
InChIKeyQBYKHKQECNSVSG-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.63
Rot. Bonds3

About 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide

6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide (PubChem CID 128508404) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide
PubChem CID128508404
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide
SMILESO=C(Nc1ccc(C2CC2)nn1)N1CCOCC(C2CCC2)C1
InChIInChI=1S/C17H24N4O2/c22-17(18-16-7-6-15(19-20-16)13-4-5-13)21-8-9-23-11-14(10-21)12-2-1-3-12/h6-7,12-14H,1-5,8-11H2,(H,18,20,22)
InChIKeyQBYKHKQECNSVSG-UHFFFAOYSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-cyclopropylpyridazin-3-yl)-3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 136554466
N-(6-cyclopropylpyridazin-3-yl)-2-(3-fluorophenyl)morpholine-4-carboxamide
CID 127624710
N-(1-tert-butyl-1,2,4-triazol-3-yl)-6-cyclobutyl-1,4-oxazepane-4-carboxamide
CID 128621030
N-(6-cyclopropylpyridazin-3-yl)-7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxamide
CID 128508405
N-(6-cyclopropylpyridazin-3-yl)-7,7-dimethyl-1-oxo-1,4-thiazepane-4-carboxamide
CID 126834188
3-[(6-cyclobutyl-1,4-oxazepane-4-carbonyl)amino]propanoic acid
CID 122018918
N-(6-cyclopropylpyridazin-3-yl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 127624784
N-[6-[(1R,3R)-3-(6-acetamidopyridazin-3-yl)cyclohexyl]pyridazin-3-yl]acetamide
CID 129135995
[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 165434865
2-(3-morpholin-4-ylphenyl)-N-[6-[(1S,3S)-3-[6-[[2-(3-morpholin-4-ylphenyl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]acetamide
CID 129136086
5-cyclopropyl-N-(6-cyclopropylpyridazin-3-yl)-1-methylpyrazole-4-carboxamide
CID 127326975
N-(4-cyclopropyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 47200518

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide?
The IUPAC name of 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide (CID 128508404) is 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide?
The canonical SMILES for 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide is O=C(Nc1ccc(C2CC2)nn1)N1CCOCC(C2CCC2)C1.
What is the InChIKey of 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide?
The InChIKey is QBYKHKQECNSVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-17(18-16-7-6-15(19-20-16)13-4-5-13)21-8-9-23-11-14(10-21)12-2-1-3-12/h6-7,12-14H,1-5,8-11H2,(H,18,20,22).
What are the key properties of 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide?
6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-N-(6-cyclopropylpyridazin-3-yl)-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 128508404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).