N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide

C17H18FN5O3 — CID 97039460

IUPACN-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H18FN5O3/c18-12-3-1-2-11(8-12)9-13(23-7-6-19-17(23)26)10-20-16(25)14-4-5-15(24)22-21-14/h1-5,8,13H,6-7,9-10H2,(H,19,26)(H,20,25)(H,22,24)/t13-/m0/s1
InChIKeyYSJHODKQXDIMQR-ZDUSSCGKSA-N
MW359.36 g/mol
LogP0.28
Rot. Bonds6

About N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 97039460) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID97039460
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC NameN-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C17H18FN5O3/c18-12-3-1-2-11(8-12)9-13(23-7-6-19-17(23)26)10-20-16(25)14-4-5-15(24)22-21-14/h1-5,8,13H,6-7,9-10H2,(H,19,26)(H,20,25)(H,22,24)/t13-/m0/s1
InChIKeyYSJHODKQXDIMQR-ZDUSSCGKSA-N
XLogP0.28
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-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-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 97039460) is N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NC[C@H](Cc1cccc(F)c1)N1CCNC1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YSJHODKQXDIMQR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18FN5O3/c18-12-3-1-2-11(8-12)9-13(23-7-6-19-17(23)26)10-20-16(25)14-4-5-15(24)22-21-14/h1-5,8,13H,6-7,9-10H2,(H,19,26)(H,20,25)(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 359.36 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 97039460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).