4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide

C19H23N3O2 — CID 155682956

IUPAC4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
SMILESCOc1ccc2c3ccnc(C)c3n(CCC(C)(C)C(N)=O)c2c1
InChIInChI=1S/C19H23N3O2/c1-12-17-15(7-9-21-12)14-6-5-13(24-4)11-16(14)22(17)10-8-19(2,3)18(20)23/h5-7,9,11H,8,10H2,1-4H3,(H2,20,23)
InChIKeyXQEZWPHXBNMKQW-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.41
Rot. Bonds5

About 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide

4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide (PubChem CID 155682956) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide.

Molecular Properties

Compound Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
PubChem CID155682956
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
SMILESCOc1ccc2c3ccnc(C)c3n(CCC(C)(C)C(N)=O)c2c1
InChIInChI=1S/C19H23N3O2/c1-12-17-15(7-9-21-12)14-6-5-13(24-4)11-16(14)22(17)10-8-19(2,3)18(20)23/h5-7,9,11H,8,10H2,1-4H3,(H2,20,23)
InChIKeyXQEZWPHXBNMKQW-UHFFFAOYSA-N
XLogP3.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide?
The IUPAC name of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide (CID 155682956) is 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide.
What is the SMILES notation for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide?
The canonical SMILES for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide is COc1ccc2c3ccnc(C)c3n(CCC(C)(C)C(N)=O)c2c1.
What is the InChIKey of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide?
The InChIKey is XQEZWPHXBNMKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-12-17-15(7-9-21-12)14-6-5-13(24-4)11-16(14)22(17)10-8-19(2,3)18(20)23/h5-7,9,11H,8,10H2,1-4H3,(H2,20,23).
What are the key properties of 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide?
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide has a molecular weight of 325.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide is sourced from PubChem (CID 155682956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).