N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide

C17H19FN4O2 — CID 90559393

IUPACN-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-5-3-13(4-6-14)12-19-17(23)22-10-7-15(8-11-22)24-16-2-1-9-20-21-16/h1-6,9,15H,7-8,10-12H2,(H,19,23)
InChIKeyKEGBXOZOEKFKAW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.37
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide (PubChem CID 90559393) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
PubChem CID90559393
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCC(Oc2cccnn2)CC1
InChIInChI=1S/C17H19FN4O2/c18-14-5-3-13(4-6-14)12-19-17(23)22-10-7-15(8-11-22)24-16-2-1-9-20-21-16/h1-6,9,15H,7-8,10-12H2,(H,19,23)
InChIKeyKEGBXOZOEKFKAW-UHFFFAOYSA-N
XLogP2.37
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-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

(3S)-N-[(4-fluorophenyl)methyl]-3-pyridazin-3-yloxypiperidine-1-carboxamide
CID 100640493
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
N-(2,6-difluorophenyl)-4-pyridazin-3-yloxypiperidine-1-carboxamide
CID 90559382
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
N-(2-methoxyethyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 91627281
N-[(4-fluorophenyl)methyl]-4-(2-methoxyethoxy)piperidine-1-carboxamide
CID 91918293
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
N-[(4-fluorophenyl)methyl]-4-[(6-methoxypyrimidin-4-yl)amino]piperidine-1-carboxamide
CID 171336207
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
(4-pyridazin-3-yloxypiperidin-1-yl)-pyridin-4-ylmethanone
CID 90559340
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide (CID 90559393) is N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCC(Oc2cccnn2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide?
The InChIKey is KEGBXOZOEKFKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-14-5-3-13(4-6-14)12-19-17(23)22-10-7-15(8-11-22)24-16-2-1-9-20-21-16/h1-6,9,15H,7-8,10-12H2,(H,19,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-pyridazin-3-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 90559393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).