6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide

C10H13ClN4O2 — CID 60858877

IUPAC6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c1-14(2)9(16)6-15(3)10(17)7-4-5-8(11)13-12-7/h4-5H,6H2,1-3H3
InChIKeyAMNWGUDGISAHMG-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.29
Rot. Bonds3

About 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide

6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide (PubChem CID 60858877) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
PubChem CID60858877
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
SMILESCN(C)C(=O)CN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H13ClN4O2/c1-14(2)9(16)6-15(3)10(17)7-4-5-8(11)13-12-7/h4-5H,6H2,1-3H3
InChIKeyAMNWGUDGISAHMG-UHFFFAOYSA-N
XLogP0.29
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
CID 54915932
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
6-chloro-N-hydroxy-N-methylpyridazine-3-carboxamide
CID 130951847
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide
CID 61051001
methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957148
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
6-chloro-N-methyl-N-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 61042256
6-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridazine-3-carboxamide
CID 61052923
6-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61040897
6-chloro-N-[(3-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 60857881
2-[(6-chloropyridazin-3-yl)methyl-ethylamino]-N,N-dimethylacetamide
CID 104513608

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide (CID 60858877) is 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide is CN(C)C(=O)CN(C)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is AMNWGUDGISAHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-14(2)9(16)6-15(3)10(17)7-4-5-8(11)13-12-7/h4-5H,6H2,1-3H3.
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 60858877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).