N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

C12H17N3O4 — CID 103954300

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCOCC2)ccc1=O
InChIInChI=1S/C12H17N3O4/c1-15-10(17)3-2-9(14-15)11(18)13-12(8-16)4-6-19-7-5-12/h2-3,16H,4-8H2,1H3,(H,13,18)
InChIKeyNINQYARTAMCSIF-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.95
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 103954300) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID103954300
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2(CO)CCOCC2)ccc1=O
InChIInChI=1S/C12H17N3O4/c1-15-10(17)3-2-9(14-15)11(18)13-12(8-16)4-6-19-7-5-12/h2-3,16H,4-8H2,1H3,(H,13,18)
InChIKeyNINQYARTAMCSIF-UHFFFAOYSA-N
XLogP-0.95
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 113344802
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 55082531
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 103954223
3-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 64889001
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62517563
N-[1-(hydroxymethyl)cyclohexyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 62519875
1-butyl-N-[1-(hydroxymethyl)cyclobutyl]-6-oxopyridazine-3-carboxamide
CID 115877901
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
2-ethyl-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylpyrazole-3-carboxamide
CID 103954364
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 103954300) is N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)NC2(CO)CCOCC2)ccc1=O.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is NINQYARTAMCSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15-10(17)3-2-9(14-15)11(18)13-12(8-16)4-6-19-7-5-12/h2-3,16H,4-8H2,1H3,(H,13,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.95, 3 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]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 103954300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).