N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide

C13H22N4O — CID 113439081

IUPACN-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCCCCN
InChIInChI=1S/C13H22N4O/c1-3-12-11(9-10(2)16-17-12)13(18)15-8-6-4-5-7-14/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyFWKHBSRIZALKEU-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.21
Rot. Bonds7

About N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 113439081) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID113439081
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NCCCCCN
InChIInChI=1S/C13H22N4O/c1-3-12-11(9-10(2)16-17-12)13(18)15-8-6-4-5-7-14/h9H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyFWKHBSRIZALKEU-UHFFFAOYSA-N
XLogP1.21
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.21
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-(6-chlorohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847354
N-(6-bromohexyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107847967
N-(3-chloropropyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670847
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 113439125
N-(4-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106122559
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(4-bromopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 106131553
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
4-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 104669767
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261

Frequently Asked Questions

What is the IUPAC name of N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 113439081) is N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NCCCCCN.
What is the InChIKey of N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is FWKHBSRIZALKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-12-11(9-10(2)16-17-12)13(18)15-8-6-4-5-7-14/h9H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-aminopentyl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 113439081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).