3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide

C12H10Cl2N4O — CID 114038414

IUPAC3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H10Cl2N4O/c13-10-6-9(11(14)18-17-10)12(19)16-5-3-8-2-1-4-15-7-8/h1-2,4,6-7H,3,5H2,(H,16,19)
InChIKeyPBMNGLTXLRUEHF-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.15
Rot. Bonds4

About 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide

3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide (PubChem CID 114038414) has the molecular formula C12H10Cl2N4O and a molecular weight of 297.15 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
PubChem CID114038414
Molecular FormulaC12H10Cl2N4O
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide
SMILESO=C(NCCc1cccnc1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H10Cl2N4O/c13-10-6-9(11(14)18-17-10)12(19)16-5-3-8-2-1-4-15-7-8/h1-2,4,6-7H,3,5H2,(H,16,19)
InChIKeyPBMNGLTXLRUEHF-UHFFFAOYSA-N
XLogP2.15
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-chloro-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 55041746
2-amino-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62072665
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
3,6-dichloro-N-(2-hydroxyethyl)pyridazine-4-carboxamide
CID 43501013
5-bromo-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 65306899
2-fluoro-4-hydroxy-N-(2-pyridin-3-ylethyl)benzamide
CID 104928329
2-amino-6-chloro-N-(2-pyridin-3-ylethyl)benzamide
CID 55244513
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
3-(aminomethyl)-N-(2-pyridin-3-ylethyl)benzamide
CID 60895534
5-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 115330467
2-bromo-N-(2-pyridin-3-ylethyl)pyridine-4-carboxamide
CID 103752224
2-(methylamino)-N-(2-pyridin-3-ylethyl)pyridine-3-carboxamide
CID 62180569

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide (CID 114038414) is 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide is O=C(NCCc1cccnc1)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide?
The InChIKey is PBMNGLTXLRUEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N4O/c13-10-6-9(11(14)18-17-10)12(19)16-5-3-8-2-1-4-15-7-8/h1-2,4,6-7H,3,5H2,(H,16,19).
What are the key properties of 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide?
3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide has a molecular weight of 297.15 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-pyridin-3-ylethyl)pyridazine-4-carboxamide is sourced from PubChem (CID 114038414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).