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

C11H13ClN4O2 — CID 61042272

IUPAC6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClN4O2/c1-16(6-10(17)13-7-2-3-7)11(18)8-4-5-9(12)15-14-8/h4-5,7H,2-3,6H2,1H3,(H,13,17)
InChIKeyVPLXTNDMIKYVJK-UHFFFAOYSA-N
MW268.70 g/mol
LogP0.48
Rot. Bonds4

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

6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide (PubChem CID 61042272) has the molecular formula C11H13ClN4O2 and a molecular weight of 268.70 g/mol. Its IUPAC name is 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
PubChem CID61042272
Molecular FormulaC11H13ClN4O2
Molecular Weight268.70 g/mol
Exact Mass268.07
IUPAC Name6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
SMILESCN(CC(=O)NC1CC1)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H13ClN4O2/c1-16(6-10(17)13-7-2-3-7)11(18)8-4-5-9(12)15-14-8/h4-5,7H,2-3,6H2,1H3,(H,13,17)
InChIKeyVPLXTNDMIKYVJK-UHFFFAOYSA-N
XLogP0.48
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 60858877
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
3-bromo-5-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbenzamide
CID 113286150
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 86907310
6-chloro-N-cyclobutylpyridazine-3-carboxamide
CID 62416339
N-[2-(cyclopropylamino)-2-oxoethyl]-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81443007
N-cyclopropyl-2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]acetamide
CID 55127585
N-cyclopropyl-2-[(2,6-dichloro-3-pyridinyl)methyl-methylamino]acetamide
CID 106993665
N-[1-(6-chloropyridazine-3-carbonyl)piperidin-4-yl]-2-methoxyacetamide
CID 61051450
3,4-dichloro-N-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 86907623
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 61093482
6-chloro-N-cyclohexyl-N-ethylpyridazine-3-carboxamide
CID 54927092

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide (CID 61042272) is 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide is CN(CC(=O)NC1CC1)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
The InChIKey is VPLXTNDMIKYVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2/c1-16(6-10(17)13-7-2-3-7)11(18)8-4-5-9(12)15-14-8/h4-5,7H,2-3,6H2,1H3,(H,13,17).
What are the key properties of 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide?
6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide has a molecular weight of 268.70 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 61042272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).