N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

C14H20N4O — CID 104625310

IUPACN-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(C#N)(CC)CC
InChIInChI=1S/C14H20N4O/c1-5-12-11(8-10(4)17-18-12)13(19)16-14(6-2,7-3)9-15/h8H,5-7H2,1-4H3,(H,16,19)
InChIKeyBZSKEISXPRCCMS-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.16
Rot. Bonds5

About N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide

N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (PubChem CID 104625310) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
PubChem CID104625310
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
SMILESCCc1nnc(C)cc1C(=O)NC(C#N)(CC)CC
InChIInChI=1S/C14H20N4O/c1-5-12-11(8-10(4)17-18-12)13(19)16-14(6-2,7-3)9-15/h8H,5-7H2,1-4H3,(H,16,19)
InChIKeyBZSKEISXPRCCMS-UHFFFAOYSA-N
XLogP2.16
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]butanoic acid
CID 104669831
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 107845640
2-[(3-ethyl-6-methylpyridazine-4-carbonyl)amino]-2-methylpropanoic acid
CID 104669542
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810446
N-(1-amino-1-hydroxyimino-2-methylbutan-2-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104671954
3-ethyl-6-methyl-N-[(2-methylpropan-2-yl)oxy]pyridazine-4-carboxamide
CID 113434261
3-ethyl-N-(2-hydroxyethyl)-6-methylpyridazine-4-carboxamide
CID 104624852
N-(3-cyanopentan-3-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 55136511
3-ethyl-6-methyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671356
N-(4-cyano-1H-pyrazol-5-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104670334
N-[(3-cyanophenyl)methyl]-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104623868
N-(6-chloropyridazin-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104624330

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide (CID 104625310) is N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is CCc1nnc(C)cc1C(=O)NC(C#N)(CC)CC.
What is the InChIKey of N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
The InChIKey is BZSKEISXPRCCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-5-12-11(8-10(4)17-18-12)13(19)16-14(6-2,7-3)9-15/h8H,5-7H2,1-4H3,(H,16,19).
What are the key properties of N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide?
N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopentan-3-yl)-3-ethyl-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 104625310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).