N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C18H23FN4O2 — CID 119666920

IUPACN-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C18H23FN4O2/c1-3-4-7-13(11-20)21-18(25)17-16(24)10-12(2)23(22-17)15-9-6-5-8-14(15)19/h5-6,8-10,13H,3-4,7,11,20H2,1-2H3,(H,21,25)
InChIKeyHSUOVHZSPUIPGK-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.93
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 119666920) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID119666920
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C18H23FN4O2/c1-3-4-7-13(11-20)21-18(25)17-16(24)10-12(2)23(22-17)15-9-6-5-8-14(15)19/h5-6,8-10,13H,3-4,7,11,20H2,1-2H3,(H,21,25)
InChIKeyHSUOVHZSPUIPGK-UHFFFAOYSA-N
XLogP1.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 119666920) is N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CCCCC(CN)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is HSUOVHZSPUIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-4-7-13(11-20)21-18(25)17-16(24)10-12(2)23(22-17)15-9-6-5-8-14(15)19/h5-6,8-10,13H,3-4,7,11,20H2,1-2H3,(H,21,25).
What are the key properties of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 119666920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).