N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide

C17H12N6O — CID 113051134

IUPACN-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2cccnc2)nn1
InChIInChI=1S/C17H12N6O/c18-10-12-4-1-2-6-14(12)20-15-7-8-16(23-22-15)21-17(24)13-5-3-9-19-11-13/h1-9,11H,(H,20,22)(H,21,23,24)
InChIKeyGEWQKSKKLPIRRC-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.74
Rot. Bonds4

About N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide

N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide (PubChem CID 113051134) has the molecular formula C17H12N6O and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
PubChem CID113051134
Molecular FormulaC17H12N6O
Molecular Weight316.32 g/mol
Exact Mass316.11
IUPAC NameN-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide
SMILESN#Cc1ccccc1Nc1ccc(NC(=O)c2cccnc2)nn1
InChIInChI=1S/C17H12N6O/c18-10-12-4-1-2-6-14(12)20-15-7-8-16(23-22-15)21-17(24)13-5-3-9-19-11-13/h1-9,11H,(H,20,22)(H,21,23,24)
InChIKeyGEWQKSKKLPIRRC-UHFFFAOYSA-N
XLogP2.74
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-cyanoanilino)pyridazin-3-yl]-3,4-difluorobenzamide
CID 113051139
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2,3,4-trifluorobenzamide
CID 113051140
N-[6-(4-fluoroanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113047284
1-[6-(2-cyanoanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113051154
N-[6-(3,5-dimethylanilino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113046442
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
N-[6-(propan-2-ylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113037962
N-(2-bromophenyl)-6-(2-cyanoanilino)pyridine-3-carboxamide
CID 109164779
N-[6-(2-cyanoanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113051142
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
N-[6-(1-phenylethylamino)pyridazin-3-yl]pyridine-3-carboxamide
CID 113041198
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridine-3-carboxamide
CID 109164948

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide (CID 113051134) is N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide is N#Cc1ccccc1Nc1ccc(NC(=O)c2cccnc2)nn1.
What is the InChIKey of N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide?
The InChIKey is GEWQKSKKLPIRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O/c18-10-12-4-1-2-6-14(12)20-15-7-8-16(23-22-15)21-17(24)13-5-3-9-19-11-13/h1-9,11H,(H,20,22)(H,21,23,24).
What are the key properties of N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide?
N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-cyanoanilino)pyridazin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 113051134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).