N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide

C14H14ClN3O2 — CID 71991611

IUPACN-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n(CCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-10-5-6-14(20)18(17-10)8-7-13(19)16-12-4-2-3-11(15)9-12/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeyLMLVOUPYZMQXDO-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.23
Rot. Bonds4

About N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide

N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide (PubChem CID 71991611) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
PubChem CID71991611
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
SMILESCc1ccc(=O)n(CCC(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C14H14ClN3O2/c1-10-5-6-14(20)18(17-10)8-7-13(19)16-12-4-2-3-11(15)9-12/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeyLMLVOUPYZMQXDO-UHFFFAOYSA-N
XLogP2.23
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-chloro-2-methylanilino)-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066085
1-(3-anilino-3-oxopropyl)-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066191
1-[3-[(5-chloro-2-pyridinyl)amino]-3-oxopropyl]-N-(3-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066077
N-(3-chlorophenyl)-2-(2,5-dimethylpyrazol-3-yl)acetamide
CID 110858844
1-(3-anilino-3-oxopropyl)-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53066008
N-(4-amino-2-methylphenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide
CID 62921618
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(3-chlorophenyl)-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 46304740
N-(3-chlorophenyl)-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517277
1-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 53065932
N-(3-acetamidophenyl)-4-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884702
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide (CID 71991611) is N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide is Cc1ccc(=O)n(CCC(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
The InChIKey is LMLVOUPYZMQXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-10-5-6-14(20)18(17-10)8-7-13(19)16-12-4-2-3-11(15)9-12/h2-6,9H,7-8H2,1H3,(H,16,19).
What are the key properties of N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide?
N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide has a molecular weight of 291.74 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(3-methyl-6-oxopyridazin-1-yl)propanamide is sourced from PubChem (CID 71991611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).