3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide

C11H16Cl2N4O — CID 114038503

IUPAC3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-16(2)5-4-6-17(3)11(18)8-7-9(12)14-15-10(8)13/h7H,4-6H2,1-3H3
InChIKeyNGXGJBXCQYKWCY-UHFFFAOYSA-N
MW291.18 g/mol
LogP1.81
Rot. Bonds5

About 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide

3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide (PubChem CID 114038503) has the molecular formula C11H16Cl2N4O and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
PubChem CID114038503
Molecular FormulaC11H16Cl2N4O
Molecular Weight291.18 g/mol
Exact Mass290.07
IUPAC Name3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1cc(Cl)nnc1Cl
InChIInChI=1S/C11H16Cl2N4O/c1-16(2)5-4-6-17(3)11(18)8-7-9(12)14-15-10(8)13/h7H,4-6H2,1-3H3
InChIKeyNGXGJBXCQYKWCY-UHFFFAOYSA-N
XLogP1.81
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetate
CID 55003828
3,6-dichloro-N-methyl-N-(2-thiophen-2-ylethyl)pyridazine-4-carboxamide
CID 114038532
2,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-4-carboxamide
CID 55226569
3,6-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-4-carboxamide
CID 114038446
3,6-dichloro-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridazine-4-carboxamide
CID 64512743
5,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridine-3-carboxamide
CID 63695366
2-amino-N-[3-(dimethylamino)propyl]-4,5-dimethoxy-N-methylbenzamide
CID 63695458
5-amino-N-[3-(dimethylamino)propyl]-2,4-difluoro-N-methylbenzamide
CID 63693725
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
4-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]benzoic acid
CID 104698148
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751
4-bromo-N-[3-(dimethylamino)propyl]-2-hydroxy-N-methylbenzamide
CID 55228118

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide (CID 114038503) is 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide is CN(C)CCCN(C)C(=O)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide?
The InChIKey is NGXGJBXCQYKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N4O/c1-16(2)5-4-6-17(3)11(18)8-7-9(12)14-15-10(8)13/h7H,4-6H2,1-3H3.
What are the key properties of 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide?
3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide has a molecular weight of 291.18 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(dimethylamino)propyl]-N-methylpyridazine-4-carboxamide is sourced from PubChem (CID 114038503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).