N-(9H-pyrido[3,4-b]indol-3-yl)formamide

C12H9N3O — CID 13450924

IUPACN-(9H-pyrido[3,4-b]indol-3-yl)formamide
SMILESO=CNc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C12H9N3O/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-7,15H,(H,13,14,16)
InChIKeyYLIKNFBWEFRNOD-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.28
Rot. Bonds2

About N-(9H-pyrido[3,4-b]indol-3-yl)formamide

N-(9H-pyrido[3,4-b]indol-3-yl)formamide (PubChem CID 13450924) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is N-(9H-pyrido[3,4-b]indol-3-yl)formamide.

Molecular Properties

Compound NameN-(9H-pyrido[3,4-b]indol-3-yl)formamide
PubChem CID13450924
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC NameN-(9H-pyrido[3,4-b]indol-3-yl)formamide
SMILESO=CNc1cc2c(cn1)[nH]c1ccccc12
InChIInChI=1S/C12H9N3O/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-7,15H,(H,13,14,16)
InChIKeyYLIKNFBWEFRNOD-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9H-pyrido[3,4-b]indol-3-yl)formamide?
The IUPAC name of N-(9H-pyrido[3,4-b]indol-3-yl)formamide (CID 13450924) is N-(9H-pyrido[3,4-b]indol-3-yl)formamide.
What is the SMILES notation for N-(9H-pyrido[3,4-b]indol-3-yl)formamide?
The canonical SMILES for N-(9H-pyrido[3,4-b]indol-3-yl)formamide is O=CNc1cc2c(cn1)[nH]c1ccccc12.
What is the InChIKey of N-(9H-pyrido[3,4-b]indol-3-yl)formamide?
The InChIKey is YLIKNFBWEFRNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-7-14-12-5-9-8-3-1-2-4-10(8)15-11(9)6-13-12/h1-7,15H,(H,13,14,16).
What are the key properties of N-(9H-pyrido[3,4-b]indol-3-yl)formamide?
N-(9H-pyrido[3,4-b]indol-3-yl)formamide has a molecular weight of 211.22 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9H-pyrido[3,4-b]indol-3-yl)formamide is sourced from PubChem (CID 13450924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).