6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C18H14N6O — CID 109121222

IUPAC6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NCc3cccnc3)nn2)cc1
InChIInChI=1S/C18H14N6O/c19-10-13-3-5-15(6-4-13)22-17-8-7-16(23-24-17)18(25)21-12-14-2-1-9-20-11-14/h1-9,11H,12H2,(H,21,25)(H,22,24)
InChIKeyNIIPGJLWNARPEN-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.42
Rot. Bonds5

About 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121222) has the molecular formula C18H14N6O and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121222
Molecular FormulaC18H14N6O
Molecular Weight330.35 g/mol
Exact Mass330.12
IUPAC Name6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESN#Cc1ccc(Nc2ccc(C(=O)NCc3cccnc3)nn2)cc1
InChIInChI=1S/C18H14N6O/c19-10-13-3-5-15(6-4-13)22-17-8-7-16(23-24-17)18(25)21-12-14-2-1-9-20-11-14/h1-9,11H,12H2,(H,21,25)(H,22,24)
InChIKeyNIIPGJLWNARPEN-UHFFFAOYSA-N
XLogP2.42
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
N-(pyridin-3-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121178
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121140
4-N-(4-cyanophenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087495
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
N-butyl-6-(4-cyanoanilino)pyridazine-3-carboxamide
CID 109110955
methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109121184
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
2-N-(4-cyanophenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087397
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
6-(4-cyanoanilino)-N-cyclopropylpyridazine-3-carboxamide
CID 109110178

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 109121222) is 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is N#Cc1ccc(Nc2ccc(C(=O)NCc3cccnc3)nn2)cc1.
What is the InChIKey of 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is NIIPGJLWNARPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O/c19-10-13-3-5-15(6-4-13)22-17-8-7-16(23-24-17)18(25)21-12-14-2-1-9-20-11-14/h1-9,11H,12H2,(H,21,25)(H,22,24).
What are the key properties of 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).