N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

C13H11N3O — CID 4375

IUPACN-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
InChIKeyQMCOPDWHWYSJSA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds1

About N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide

N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (PubChem CID 4375) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
PubChem CID4375
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC NameN-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
SMILESCNC(=O)c1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
InChIKeyQMCOPDWHWYSJSA-UHFFFAOYSA-N
XLogP2.08
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Indoramin
CID 33625
Harman
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Indole-3-acetamide
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LY-517717
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Indole-5-carboxamide
CID 14973220
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802
Tryptamide
CID 65768
1H-indole-3-carboxamide
CID 2192542
Rhetsinine
CID 99652
4-Fluoro-N-(3-(1-methyl-4-piperidinyl)-1H-indol-5-yl)benzamide
CID 5311258
Indole, 3-(dimethylaminoacetyl)-
CID 34863

Frequently Asked Questions

What is the IUPAC name of N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The IUPAC name of N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CID 4375) is N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
What is the SMILES notation for N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The canonical SMILES for N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is CNC(=O)c1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The InChIKey is QMCOPDWHWYSJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17).
What are the key properties of N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is sourced from PubChem (CID 4375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).