6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide

C11H15ClN4O2 — CID 54915932

IUPAC6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O2/c1-7(2)13-10(17)6-16(3)11(18)8-4-5-9(12)15-14-8/h4-5,7H,6H2,1-3H3,(H,13,17)
InChIKeyOHDPXUBDZWIUQH-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.73
Rot. Bonds4

About 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide

6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide (PubChem CID 54915932) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
PubChem CID54915932
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
SMILESCC(C)NC(=O)CN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C11H15ClN4O2/c1-7(2)13-10(17)6-16(3)11(18)8-4-5-9(12)15-14-8/h4-5,7H,6H2,1-3H3,(H,13,17)
InChIKeyOHDPXUBDZWIUQH-UHFFFAOYSA-N
XLogP0.73
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 61042272
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 60858877
6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide
CID 61051001
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393
methyl 2-[(6-chloropyridazine-3-carbonyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 62957148
6-chloro-N-hydroxy-N-methylpyridazine-3-carboxamide
CID 130951847
4-iodo-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 31749087
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
3-bromo-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 113361108
4-amino-2-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61139557
6-chloro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridazine-3-carboxamide
CID 55101967
2-[(3,6-dichloro-2-pyridinyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 62892164

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide (CID 54915932) is 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide is CC(C)NC(=O)CN(C)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide?
The InChIKey is OHDPXUBDZWIUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-7(2)13-10(17)6-16(3)11(18)8-4-5-9(12)15-14-8/h4-5,7H,6H2,1-3H3,(H,13,17).
What are the key properties of 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide?
6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 54915932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).