N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide

C18H11F2N5O — CID 113051139

IUPACN-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C18H11F2N5O/c19-13-6-5-11(9-14(13)20)18(26)23-17-8-7-16(24-25-17)22-15-4-2-1-3-12(15)10-21/h1-9H,(H,22,24)(H,23,25,26)
InChIKeyWYDLORPWAZNQPF-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide

N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide (PubChem CID 113051139) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
PubChem CID113051139
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1
InChIInChI=1S/C18H11F2N5O/c19-13-6-5-11(9-14(13)20)18(26)23-17-8-7-16(24-25-17)22-15-4-2-1-3-12(15)10-21/h1-9H,(H,22,24)(H,23,25,26)
InChIKeyWYDLORPWAZNQPF-UHFFFAOYSA-N
XLogP3.62
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2-cyanoanilino)pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113051140
3,4-difluoro-N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]benzamide
CID 113048646
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113051142
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113051134
3,4-difluoro-N-[6-(quinolin-8-ylamino)pyridazin-3-yl]benzamide
CID 113050395
N-(2-cyanophenyl)-6-(3,4-difluoroanilino)pyridine-3-carboxamide
CID 109164997
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
N-[6-(3-chloroanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047474
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113047986
6-(2-cyanoanilino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109359923
1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113051154
N-[5-(2-cyanoanilino)-2-pyridinyl]-4-fluorobenzamide
CID 113037053

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide (CID 113051139) is N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide is N#Cc1ccccc1Nc1ccc(NC(=O)c2ccc(F)c(F)c2)nn1.
What is the InChIKey of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
The InChIKey is WYDLORPWAZNQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-13-6-5-11(9-14(13)20)18(26)23-17-8-7-16(24-25-17)22-15-4-2-1-3-12(15)10-21/h1-9H,(H,22,24)(H,23,25,26).
What are the key properties of N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide?
N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide has a molecular weight of 351.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 113051139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).