N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide

C21H27N3O2 — CID 155682992

IUPACN-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
SMILESCCCCNC(=O)CCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C21H27N3O2/c1-4-5-11-23-20(25)7-6-13-24-19-14-16(26-3)8-9-17(19)18-10-12-22-15(2)21(18)24/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,23,25)
InChIKeyZEXULWNXZHRBBI-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.20
Rot. Bonds8

About N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide

N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide (PubChem CID 155682992) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide.

Molecular Properties

Compound NameN-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
PubChem CID155682992
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide
SMILESCCCCNC(=O)CCCn1c2cc(OC)ccc2c2ccnc(C)c21
InChIInChI=1S/C21H27N3O2/c1-4-5-11-23-20(25)7-6-13-24-19-14-16(26-3)8-9-17(19)18-10-12-22-15(2)21(18)24/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,23,25)
InChIKeyZEXULWNXZHRBBI-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-9-[6-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539519
7-hexoxy-9-[6-(7-hexoxy-1-methylpyrido[3,4-b]indol-9-yl)hexyl]-1-methylpyrido[3,4-b]indole
CID 71539520
4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)-2,2-dimethylbutanamide
CID 155682956
2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)acetamide
CID 155541088
4-(1-ethyl-7-methoxypyrido[3,4-b]indol-9-yl)butan-1-amine
CID 54575646
4-[7-(deuteriomethoxy)-1-methylpyrido[3,4-b]indol-9-yl]butanenitrile
CID 155682962
5-[2-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)ethyl]-1,2,4-oxadiazole
CID 86298685
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
CID 46704401
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
1-methyl-9-(2-methylpropyl)-7-propoxypyrido[3,4-b]indole
CID 174692648

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
The IUPAC name of N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide (CID 155682992) is N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide.
What is the SMILES notation for N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
The canonical SMILES for N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide is CCCCNC(=O)CCCn1c2cc(OC)ccc2c2ccnc(C)c21.
What is the InChIKey of N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
The InChIKey is ZEXULWNXZHRBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-4-5-11-23-20(25)7-6-13-24-19-14-16(26-3)8-9-17(19)18-10-12-22-15(2)21(18)24/h8-10,12,14H,4-7,11,13H2,1-3H3,(H,23,25).
What are the key properties of N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide?
N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide has a molecular weight of 353.47 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(7-methoxy-1-methylpyrido[3,4-b]indol-9-yl)butanamide is sourced from PubChem (CID 155682992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).