N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide

C16H17N5O2 — CID 109109935

IUPACN-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NC3CC3)nn2)c1
InChIInChI=1S/C16H17N5O2/c1-10(22)17-12-3-2-4-13(9-12)19-16(23)14-7-8-15(21-20-14)18-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyWIGYXBJBEXJHFO-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.26
Rot. Bonds5

About N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide

N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide (PubChem CID 109109935) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
PubChem CID109109935
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccc(NC3CC3)nn2)c1
InChIInChI=1S/C16H17N5O2/c1-10(22)17-12-3-2-4-13(9-12)19-16(23)14-7-8-15(21-20-14)18-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,17,22)(H,18,21)(H,19,23)
InChIKeyWIGYXBJBEXJHFO-UHFFFAOYSA-N
XLogP2.26
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-(3-acetamidophenyl)-5-(cyclopropylamino)pyridine-2-carboxamide
CID 109180174
6-(cycloheptylamino)-N-phenylpyridazine-3-carboxamide
CID 109124960
N-[3-(cyclopropylamino)phenyl]acetamide
CID 45119286
N-(3-acetamidophenyl)-6-(3-chloroanilino)pyridazine-3-carboxamide
CID 109128669
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112196
6-(cyclopropylamino)-N-[4-(diethylamino)phenyl]pyridazine-3-carboxamide
CID 109109943
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
6-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109112976
N-(4-chlorophenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112186

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide (CID 109109935) is N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccc(NC3CC3)nn2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide?
The InChIKey is WIGYXBJBEXJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-10(22)17-12-3-2-4-13(9-12)19-16(23)14-7-8-15(21-20-14)18-11-5-6-11/h2-4,7-9,11H,5-6H2,1H3,(H,17,22)(H,18,21)(H,19,23).
What are the key properties of N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide?
N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-6-(cyclopropylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109109935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).