N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

C18H23N3O2 — CID 3244337

IUPACN-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O2/c1-14(2)10-12-19-17(22)11-13-21-18(23)9-8-16(20-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,19,22)
InChIKeyPZOCMKIHCUDVLD-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.46
Rot. Bonds7

About N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide

N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (PubChem CID 3244337) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
PubChem CID3244337
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
SMILESCC(C)CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
InChIInChI=1S/C18H23N3O2/c1-14(2)10-12-19-17(22)11-13-21-18(23)9-8-16(20-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,19,22)
InChIKeyPZOCMKIHCUDVLD-UHFFFAOYSA-N
XLogP2.46
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The IUPAC name of N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide (CID 3244337) is N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The canonical SMILES for N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is CC(C)CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O.
What is the InChIKey of N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
The InChIKey is PZOCMKIHCUDVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14(2)10-12-19-17(22)11-13-21-18(23)9-8-16(20-21)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3,(H,19,22).
What are the key properties of N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide?
N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide has a molecular weight of 313.40 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide is sourced from PubChem (CID 3244337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).