N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide

C14H21N3O4 — CID 103954223

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2(CO)CCOCC2)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-2-7-17-12(19)4-3-11(16-17)13(20)15-14(10-18)5-8-21-9-6-14/h3-4,18H,2,5-10H2,1H3,(H,15,20)
InChIKeyJHALBRWKQUKOOE-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.08
Rot. Bonds5

About N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 103954223) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID103954223
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC2(CO)CCOCC2)ccc1=O
InChIInChI=1S/C14H21N3O4/c1-2-7-17-12(19)4-3-11(16-17)13(20)15-14(10-18)5-8-21-9-6-14/h3-4,18H,2,5-10H2,1H3,(H,15,20)
InChIKeyJHALBRWKQUKOOE-UHFFFAOYSA-N
XLogP-0.08
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901
N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 43355382
(2R)-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]propanoic acid
CID 54990747
methyl 1-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 86921740
N-[(1-morpholin-4-ylcyclohexyl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 30731594
N-[(3-methyloxetan-3-yl)methyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 78956966
2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]pentanoic acid
CID 43630891

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide (CID 103954223) is N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC2(CO)CCOCC2)ccc1=O.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is JHALBRWKQUKOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-2-7-17-12(19)4-3-11(16-17)13(20)15-14(10-18)5-8-21-9-6-14/h3-4,18H,2,5-10H2,1H3,(H,15,20).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 103954223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).