N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

C19H15F2N3O2 — CID 37391171

IUPACN-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cc(F)cc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C19H15F2N3O2/c1-12-7-17(25)18(23-24(12)16-5-3-2-4-6-16)19(26)22-11-13-8-14(20)10-15(21)9-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyWZCSETKNNWKTDN-UHFFFAOYSA-N
MW355.34 g/mol
LogP2.75
Rot. Bonds4

About N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide

N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (PubChem CID 37391171) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
PubChem CID37391171
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC NameN-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCc2cc(F)cc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C19H15F2N3O2/c1-12-7-17(25)18(23-24(12)16-5-3-2-4-6-16)19(26)22-11-13-8-14(20)10-15(21)9-13/h2-10H,11H2,1H3,(H,22,26)
InChIKeyWZCSETKNNWKTDN-UHFFFAOYSA-N
XLogP2.75
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide (CID 37391171) is N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCc2cc(F)cc(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
The InChIKey is WZCSETKNNWKTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c1-12-7-17(25)18(23-24(12)16-5-3-2-4-6-16)19(26)22-11-13-8-14(20)10-15(21)9-13/h2-10H,11H2,1H3,(H,22,26).
What are the key properties of N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide?
N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide has a molecular weight of 355.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 37391171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).