1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide

C14H21N3O3 — CID 115877901

IUPAC1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2(CO)CCC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-3-9-17-12(19)6-5-11(16-17)13(20)15-14(10-18)7-4-8-14/h5-6,18H,2-4,7-10H2,1H3,(H,15,20)
InChIKeyFIGKPNNCGKUPDM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.69
Rot. Bonds6

About 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide

1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide (PubChem CID 115877901) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
PubChem CID115877901
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
SMILESCCCCn1nc(C(=O)NC2(CO)CCC2)ccc1=O
InChIInChI=1S/C14H21N3O3/c1-2-3-9-17-12(19)6-5-11(16-17)13(20)15-14(10-18)7-4-8-14/h5-6,18H,2-4,7-10H2,1H3,(H,15,20)
InChIKeyFIGKPNNCGKUPDM-UHFFFAOYSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 43388860
1-butyl-N-(2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
CID 43388916
N-(2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 43388921
N-(1-hydroxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 43390361
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 43390561
1-butyl-N-(3-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 43417804
N-(1-hydroxybutan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 43418115
1-butyl-N-(1-hydroxybutan-2-yl)-6-oxopyridazine-3-carboxamide
CID 43418119
1-butyl-N-(2-hydroxypropyl)-6-oxopyridazine-3-carboxamide
CID 43418478
N-(1-hydroxypropan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 43418639
1-butyl-N-(1-hydroxypropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 43418979
N-(1-hydroxypropan-2-yl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 43419009

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide (CID 115877901) is 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide is CCCCn1nc(C(=O)NC2(CO)CCC2)ccc1=O.
What is the InChIKey of 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is FIGKPNNCGKUPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-3-9-17-12(19)6-5-11(16-17)13(20)15-14(10-18)7-4-8-14/h5-6,18H,2-4,7-10H2,1H3,(H,15,20).
What are the key properties of 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide?
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 115877901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).