4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

C19H22N4O — CID 155534808

IUPAC4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)CCNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C19H22N4O/c1-13(2)8-9-21-18-16(19(20)24)11-22-23-12-15(10-17(18)23)14-6-4-3-5-7-14/h3-7,10-13,21H,8-9H2,1-2H3,(H2,20,24)
InChIKeyGAQCUASAYUHWBD-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.56
Rot. Bonds6

About 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide

4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (PubChem CID 155534808) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
PubChem CID155534808
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)CCNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12
InChIInChI=1S/C19H22N4O/c1-13(2)8-9-21-18-16(19(20)24)11-22-23-12-15(10-17(18)23)14-6-4-3-5-7-14/h3-7,10-13,21H,8-9H2,1-2H3,(H2,20,24)
InChIKeyGAQCUASAYUHWBD-UHFFFAOYSA-N
XLogP3.56
TPSA72.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide (CID 155534808) is 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide is CC(C)CCNc1c(C(N)=O)cnn2cc(-c3ccccc3)cc12.
What is the InChIKey of 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is GAQCUASAYUHWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13(2)8-9-21-18-16(19(20)24)11-22-23-12-15(10-17(18)23)14-6-4-3-5-7-14/h3-7,10-13,21H,8-9H2,1-2H3,(H2,20,24).
What are the key properties of 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide?
4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbutylamino)-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 155534808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).