N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide

C13H22N4O — CID 104668867

IUPACN-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C(C)C)c(C)nn1
InChIInChI=1S/C13H22N4O/c1-9(2)17(7-5-6-14)13(18)12-8-10(3)15-16-11(12)4/h8-9H,5-7,14H2,1-4H3
InChIKeyLBISXUBZUDDYAH-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.29
Rot. Bonds5

About N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide

N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide (PubChem CID 104668867) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
PubChem CID104668867
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)N(CCCN)C(C)C)c(C)nn1
InChIInChI=1S/C13H22N4O/c1-9(2)17(7-5-6-14)13(18)12-8-10(3)15-16-11(12)4/h8-9H,5-7,14H2,1-4H3
InChIKeyLBISXUBZUDDYAH-UHFFFAOYSA-N
XLogP1.29
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-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

N-(3-aminopropyl)-3,6-dimethyl-N-phenylpyridazine-4-carboxamide
CID 104668847
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672038
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
N-(3-aminopropyl)-2,5-difluoro-N-propan-2-ylbenzamide
CID 43136631
N-(2-chloroethyl)-3-ethyl-6-methyl-N-propan-2-ylpyridazine-4-carboxamide
CID 104672454
N-(4-aminobutan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 104668957
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
N-(3-aminopropyl)-2-methoxy-N-propan-2-ylbenzamide
CID 43136698
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 107673300
N-(3-aminopropyl)-N-propan-2-yl-2-(trifluoromethyl)benzamide
CID 43136696
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide (CID 104668867) is N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide is Cc1cc(C(=O)N(CCCN)C(C)C)c(C)nn1.
What is the InChIKey of N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is LBISXUBZUDDYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17(7-5-6-14)13(18)12-8-10(3)15-16-11(12)4/h8-9H,5-7,14H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide?
N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,6-dimethyl-N-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 104668867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).