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

C17H18FN5O3 — CID 71784636

IUPACN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(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)
InChIKeyYSJHODKQXDIMQR-UHFFFAOYSA-N
MW359.36 g/mol
LogP0.28
Rot. Bonds6

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

N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 71784636) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID71784636
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(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)
InChIKeyYSJHODKQXDIMQR-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 71784636) is N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is O=C(NCC(Cc1cccc(F)c1)N1CCNC1=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YSJHODKQXDIMQR-UHFFFAOYSA-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).
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[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-[3-(3-fluorophenyl)-2-(2-oxoimidazolidin-1-yl)propyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 71784636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).