6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

C19H19N5O — CID 109121140

IUPAC6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)NCc2cccnc2)nn1
InChIInChI=1S/C19H19N5O/c1-2-15-7-3-4-8-16(15)22-18-10-9-17(23-24-18)19(25)21-13-14-6-5-11-20-12-14/h3-12H,2,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyOUVRQFFUBQFZHJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.11
Rot. Bonds6

About 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide

6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109121140) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
PubChem CID109121140
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
SMILESCCc1ccccc1Nc1ccc(C(=O)NCc2cccnc2)nn1
InChIInChI=1S/C19H19N5O/c1-2-15-7-3-4-8-16(15)22-18-10-9-17(23-24-18)19(25)21-13-14-6-5-11-20-12-14/h3-12H,2,13H2,1H3,(H,21,25)(H,22,24)
InChIKeyOUVRQFFUBQFZHJ-UHFFFAOYSA-N
XLogP3.11
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[6-(pyridin-3-ylmethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109121184
6-(2-ethylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120853
6-[4-(diethylamino)anilino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121189
6-(4-chloroanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121155
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
N-benzyl-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109117896
6-(4-cyanoanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121222
6-chloro-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 54927031
N-benzyl-6-(2-ethylanilino)-N-methylpyridazine-3-carboxamide
CID 109119106
N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109120160
6-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109350032

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide (CID 109121140) is 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is CCc1ccccc1Nc1ccc(C(=O)NCc2cccnc2)nn1.
What is the InChIKey of 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is OUVRQFFUBQFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-15-7-3-4-8-16(15)22-18-10-9-17(23-24-18)19(25)21-13-14-6-5-11-20-12-14/h3-12H,2,13H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide?
6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylanilino)-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).