N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide

C17H19N3O2 — CID 11833410

IUPACN-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc2[nH]c3cnc(C(=O)NC(C)(C)C)cc3c2c1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)20-16(21)14-8-12-11-7-10(22-4)5-6-13(11)19-15(12)9-18-14/h5-9,19H,1-4H3,(H,20,21)
InChIKeyHTCLTVTYRYUPOG-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.25
Rot. Bonds2

About N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide

N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 11833410) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID11833410
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCOc1ccc2[nH]c3cnc(C(=O)NC(C)(C)C)cc3c2c1
InChIInChI=1S/C17H19N3O2/c1-17(2,3)20-16(21)14-8-12-11-7-10(22-4)5-6-13(11)19-15(12)9-18-14/h5-9,19H,1-4H3,(H,20,21)
InChIKeyHTCLTVTYRYUPOG-UHFFFAOYSA-N
XLogP3.25
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
methyl 6-fluoro-9H-pyrido[3,4-b]indole-3-carboxylate
CID 6918825
6-(2-hydroxyethoxy)-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 82220379
6-[2-(dimethylamino)ethoxy]-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 82220385
N-(6-methoxy-2-oxo-1-phenyl-3H-indol-3-yl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 15284610
6-methoxy-9H-carbazol-3-ol
CID 142959347
N-tert-butyl-6-methoxy-3-phenylisoquinoline-4-carboxamide
CID 102496386
(2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8015997
N-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203990
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
ethyl 6-methoxy-4-methyl-9H-pyrido[3,4-b]indole-3-carboxylate
CID 13133996
3-fluoro-6-methoxy-9H-carbazole
CID 171714917

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide (CID 11833410) is N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide is COc1ccc2[nH]c3cnc(C(=O)NC(C)(C)C)cc3c2c1.
What is the InChIKey of N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is HTCLTVTYRYUPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,3)20-16(21)14-8-12-11-7-10(22-4)5-6-13(11)19-15(12)9-18-14/h5-9,19H,1-4H3,(H,20,21).
What are the key properties of N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide?
N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-methoxy-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 11833410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).