N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide

C11H17N3O2 — CID 113200331

IUPACN-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C(C)C)nn1
InChIInChI=1S/C11H17N3O2/c1-8(2)9-4-5-10(14-13-9)11(15)12-6-7-16-3/h4-5,8H,6-7H2,1-3H3,(H,12,15)
InChIKeySUDZCHSYLPTCNW-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.98
Rot. Bonds5

About N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide

N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide (PubChem CID 113200331) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide
PubChem CID113200331
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(C(C)C)nn1
InChIInChI=1S/C11H17N3O2/c1-8(2)9-4-5-10(14-13-9)11(15)12-6-7-16-3/h4-5,8H,6-7H2,1-3H3,(H,12,15)
InChIKeySUDZCHSYLPTCNW-UHFFFAOYSA-N
XLogP0.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
N-[2-(3-chlorophenyl)ethyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 113200400
6-(2-fluoroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114000
6-(4-acetylpiperazin-1-yl)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109113907
N-(2-methoxyethyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183921
6-(2,6-dichloroanilino)-N-(2-methoxyethyl)pyridazine-3-carboxamide
CID 109114069
6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridazine-3-carboxamide
CID 113450833
N-(2-methoxyethyl)-5-(2-propan-2-ylanilino)pyridine-2-carboxamide
CID 109183920
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
N-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
6-amino-N-(5-methoxypentyl)pyridazine-3-carboxamide
CID 114131484
N-(2-methoxyethyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109113959

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide (CID 113200331) is N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide is COCCNC(=O)c1ccc(C(C)C)nn1.
What is the InChIKey of N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is SUDZCHSYLPTCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)9-4-5-10(14-13-9)11(15)12-6-7-16-3/h4-5,8H,6-7H2,1-3H3,(H,12,15).
What are the key properties of N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide?
N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 113200331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).