N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide

C18H11F2N5O — CID 109130379

IUPACN-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nn2)c1
InChIInChI=1S/C18H11F2N5O/c19-13-5-2-6-14(20)17(13)23-16-8-7-15(24-25-16)18(26)22-12-4-1-3-11(9-12)10-21/h1-9H,(H,22,26)(H,23,25)
InChIKeyCQTNZMOZQCBBPO-UHFFFAOYSA-N
MW351.32 g/mol
LogP3.62
Rot. Bonds4

About N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide

N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide (PubChem CID 109130379) has the molecular formula C18H11F2N5O and a molecular weight of 351.32 g/mol. Its IUPAC name is N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
PubChem CID109130379
Molecular FormulaC18H11F2N5O
Molecular Weight351.32 g/mol
Exact Mass351.09
IUPAC NameN-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide
SMILESN#Cc1cccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nn2)c1
InChIInChI=1S/C18H11F2N5O/c19-13-5-2-6-14(20)17(13)23-16-8-7-15(24-25-16)18(26)22-12-4-1-3-11(9-12)10-21/h1-9H,(H,22,26)(H,23,25)
InChIKeyCQTNZMOZQCBBPO-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-(3-cyanophenyl)-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109128393
6-(3-cyanoanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128566
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
6-(3-cyanoanilino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109130370
6-(4-acetylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109129841
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
N-(3-cyanophenyl)-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127987
N-(3-cyanophenyl)-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109127539
6-(3-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridazine-3-carboxamide
CID 109128825
N-(3-chloro-4-methylphenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109128993
N-(3-cyanophenyl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128178
N-(4-cyanophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109130101

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide (CID 109130379) is N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide is N#Cc1cccc(NC(=O)c2ccc(Nc3c(F)cccc3F)nn2)c1.
What is the InChIKey of N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide?
The InChIKey is CQTNZMOZQCBBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F2N5O/c19-13-5-2-6-14(20)17(13)23-16-8-7-15(24-25-16)18(26)22-12-4-1-3-11(9-12)10-21/h1-9H,(H,22,26)(H,23,25).
What are the key properties of N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide?
N-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide 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-(3-cyanophenyl)-6-(2,6-difluoroanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109130379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).