6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide

C16H17ClN4O2 — CID 51136210

IUPAC6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C16H17ClN4O2/c1-3-15(22)19-12-6-4-11(5-7-12)10(2)18-16(23)13-8-9-14(17)21-20-13/h4-10H,3H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyRANZEEHEQOBNSN-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.97
Rot. Bonds5

About 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide

6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide (PubChem CID 51136210) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
PubChem CID51136210
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(C)NC(=O)c2ccc(Cl)nn2)cc1
InChIInChI=1S/C16H17ClN4O2/c1-3-15(22)19-12-6-4-11(5-7-12)10(2)18-16(23)13-8-9-14(17)21-20-13/h4-10H,3H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyRANZEEHEQOBNSN-UHFFFAOYSA-N
XLogP2.97
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436900
6-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridazine-3-carboxamide
CID 61040801
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
1-butyl-6-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide
CID 55657872
N-(4-acetamidophenyl)-6-chloropyridazine-3-carboxamide
CID 60859038
N-[4-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507580
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
6-chloro-N-[1-(2-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 61042386
ethyl 2-[(6-chloropyridazine-3-carbonyl)amino]propanoate
CID 54960391
6-amino-N-[1-(4-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 62159582

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide (CID 51136210) is 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide is CCC(=O)Nc1ccc(C(C)NC(=O)c2ccc(Cl)nn2)cc1.
What is the InChIKey of 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
The InChIKey is RANZEEHEQOBNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-3-15(22)19-12-6-4-11(5-7-12)10(2)18-16(23)13-8-9-14(17)21-20-13/h4-10H,3H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide?
6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-[4-(propanoylamino)phenyl]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 51136210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).