N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C13H22N4O — CID 106122559

IUPACN-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCCC(C)N
InChIInChI=1S/C13H22N4O/c1-4-12-11(8-10(3)16-17-12)13(18)15-7-5-6-9(2)14/h8-9H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyZAEWOLGWUPJPAJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.20
Rot. Bonds6

About N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 106122559) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID106122559
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCCC(C)N
InChIInChI=1S/C13H22N4O/c1-4-12-11(8-10(3)16-17-12)13(18)15-7-5-6-9(2)14/h8-9H,4-7,14H2,1-3H3,(H,15,18)
InChIKeyZAEWOLGWUPJPAJ-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 113439081
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(2-aminobutyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671450
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670448
N-(2-amino-2-phenylethyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671379
3-ethyl-6-methyl-N-(2-methylpropoxy)pyridazine-4-carboxamide
CID 104624588

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 106122559) is N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCCCC(C)N.
What is the InChIKey of N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is ZAEWOLGWUPJPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-12-11(8-10(3)16-17-12)13(18)15-7-5-6-9(2)14/h8-9H,4-7,14H2,1-3H3,(H,15,18).
What are the key properties of N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 106122559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).