N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

C14H22N4O2 — CID 109111164

IUPACN-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C14H22N4O2/c1-10(2)8-16-14(19)12-5-6-13(18-17-12)15-9-11-4-3-7-20-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJXJWVWNFLRWWNT-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.45
Rot. Bonds6

About N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide

N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109111164) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109111164
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(NCC2CCCO2)nn1
InChIInChI=1S/C14H22N4O2/c1-10(2)8-16-14(19)12-5-6-13(18-17-12)15-9-11-4-3-7-20-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyJXJWVWNFLRWWNT-UHFFFAOYSA-N
XLogP1.45
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethylamino)-N-propylpyridazine-3-carboxamide
CID 109109214
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900
6-(ethylamino)-N-(oxan-2-ylmethyl)pyridazine-3-carboxamide
CID 62181516
N-cyclohexyl-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109112983
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
N-(3,5-dimethylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114879
N-(2-methylphenyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114870
N-[(2-fluorophenyl)methyl]-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109114812
N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
6-(3,5-dimethylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115053
6-(2-methyl-6-propan-2-ylanilino)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115064
N-[2-(oxan-2-yl)ethyl]-6-(propylamino)pyridazine-3-carboxamide
CID 106000656

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide (CID 109111164) is N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is CC(C)CNC(=O)c1ccc(NCC2CCCO2)nn1.
What is the InChIKey of N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is JXJWVWNFLRWWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10(2)8-16-14(19)12-5-6-13(18-17-12)15-9-11-4-3-7-20-11/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide?
N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109111164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).