N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide

C18H21FN6O3 — CID 136552966

IUPACN-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)nn1
InChIInChI=1S/C18H21FN6O3/c1-2-28-16-6-5-15(22-23-16)24-7-9-25(10-8-24)18(27)21-12-3-4-14(19)13(11-12)17(20)26/h3-6,11H,2,7-10H2,1H3,(H2,20,26)(H,21,27)
InChIKeyFFCDXCWXAWNRQK-UHFFFAOYSA-N
MW388.40 g/mol
LogP1.47
Rot. Bonds5

About N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide

N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide (PubChem CID 136552966) has the molecular formula C18H21FN6O3 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
PubChem CID136552966
Molecular FormulaC18H21FN6O3
Molecular Weight388.40 g/mol
Exact Mass388.17
IUPAC NameN-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
SMILESCCOc1ccc(N2CCN(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)nn1
InChIInChI=1S/C18H21FN6O3/c1-2-28-16-6-5-15(22-23-16)24-7-9-25(10-8-24)18(27)21-12-3-4-14(19)13(11-12)17(20)26/h3-6,11H,2,7-10H2,1H3,(H2,20,26)(H,21,27)
InChIKeyFFCDXCWXAWNRQK-UHFFFAOYSA-N
XLogP1.47
TPSA113.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-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-cyclopentyl-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide
CID 155952713
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122347837
4-[6-(diethylamino)pyridazin-3-yl]-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 122335449
(2-bromophenyl)-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883472
N-(4-ethylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazine-1-carboxamide
CID 122334280
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421
[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 16883464
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
4-[6-(ethylamino)pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122350650
1-[4-(6-ethoxypyridazin-3-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 16883530
4-(6-ethoxy-2-pyridinyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 136524178
N-(4-ethoxyphenyl)-4-[6-(2-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335735

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
The IUPAC name of N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide (CID 136552966) is N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide is CCOc1ccc(N2CCN(C(=O)Nc3ccc(F)c(C(N)=O)c3)CC2)nn1.
What is the InChIKey of N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
The InChIKey is FFCDXCWXAWNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O3/c1-2-28-16-6-5-15(22-23-16)24-7-9-25(10-8-24)18(27)21-12-3-4-14(19)13(11-12)17(20)26/h3-6,11H,2,7-10H2,1H3,(H2,20,26)(H,21,27).
What are the key properties of N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide?
N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide has a molecular weight of 388.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-4-fluorophenyl)-4-(6-ethoxypyridazin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 136552966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).