N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C22H20FN5O4 — CID 56572917

IUPACN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)nn1-c1ccccc1F
InChIInChI=1S/C22H20FN5O4/c1-13-12-18(29)20(27-28(13)17-9-5-3-7-15(17)23)22(32)26-16-8-4-2-6-14(16)21(31)25-11-10-19(24)30/h2-9,12H,10-11H2,1H3,(H2,24,30)(H,25,31)(H,26,32)
InChIKeyKHOULUNBWHUWEL-UHFFFAOYSA-N
MW437.43 g/mol
LogP1.54
Rot. Bonds7

About N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 56572917) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID56572917
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC NameN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)nn1-c1ccccc1F
InChIInChI=1S/C22H20FN5O4/c1-13-12-18(29)20(27-28(13)17-9-5-3-7-15(17)23)22(32)26-16-8-4-2-6-14(16)21(31)25-11-10-19(24)30/h2-9,12H,10-11H2,1H3,(H2,24,30)(H,25,31)(H,26,32)
InChIKeyKHOULUNBWHUWEL-UHFFFAOYSA-N
XLogP1.54
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-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-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 56572917) is N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)nn1-c1ccccc1F.
What is the InChIKey of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is KHOULUNBWHUWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O4/c1-13-12-18(29)20(27-28(13)17-9-5-3-7-15(17)23)22(32)26-16-8-4-2-6-14(16)21(31)25-11-10-19(24)30/h2-9,12H,10-11H2,1H3,(H2,24,30)(H,25,31)(H,26,32).
What are the key properties of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 1.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 56572917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).