N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

C19H25N3O3 — CID 16885181

IUPACN-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCCCNC(=O)CCCn1nc(-c2cccc(OC)c2)ccc1=O
InChIInChI=1S/C19H25N3O3/c1-3-4-12-20-18(23)9-6-13-22-19(24)11-10-17(21-22)15-7-5-8-16(14-15)25-2/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3,(H,20,23)
InChIKeyTXMVZZSKVLNMBX-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.62
Rot. Bonds9

About N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide

N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (PubChem CID 16885181) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.

Molecular Properties

Compound NameN-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
PubChem CID16885181
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
SMILESCCCCNC(=O)CCCn1nc(-c2cccc(OC)c2)ccc1=O
InChIInChI=1S/C19H25N3O3/c1-3-4-12-20-18(23)9-6-13-22-19(24)11-10-17(21-22)15-7-5-8-16(14-15)25-2/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3,(H,20,23)
InChIKeyTXMVZZSKVLNMBX-UHFFFAOYSA-N
XLogP2.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The IUPAC name of N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide (CID 16885181) is N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide.
What is the SMILES notation for N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The canonical SMILES for N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is CCCCNC(=O)CCCn1nc(-c2cccc(OC)c2)ccc1=O.
What is the InChIKey of N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
The InChIKey is TXMVZZSKVLNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-3-4-12-20-18(23)9-6-13-22-19(24)11-10-17(21-22)15-7-5-8-16(14-15)25-2/h5,7-8,10-11,14H,3-4,6,9,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide?
N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide has a molecular weight of 343.43 g/mol, XLogP of 2.62, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide is sourced from PubChem (CID 16885181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).