furan-2-carboxamide;9H-pyrido[3,4-b]indole

C16H13N3O2 — CID 175128472

IUPACfuran-2-carboxamide;9H-pyrido[3,4-b]indole
SMILESNC(=O)c1ccco1.c1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C11H8N2.C5H5NO2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;6-5(7)4-2-1-3-8-4/h1-7,13H;1-3H,(H2,6,7)
InChIKeySSZPLPYKYKXNAP-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.09
Rot. Bonds1

About furan-2-carboxamide;9H-pyrido[3,4-b]indole

furan-2-carboxamide;9H-pyrido[3,4-b]indole (PubChem CID 175128472) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is furan-2-carboxamide;9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Namefuran-2-carboxamide;9H-pyrido[3,4-b]indole
PubChem CID175128472
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Namefuran-2-carboxamide;9H-pyrido[3,4-b]indole
SMILESNC(=O)c1ccco1.c1ccc2c(c1)[nH]c1cnccc12
InChIInChI=1S/C11H8N2.C5H5NO2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;6-5(7)4-2-1-3-8-4/h1-7,13H;1-3H,(H2,6,7)
InChIKeySSZPLPYKYKXNAP-UHFFFAOYSA-N
XLogP3.09
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of furan-2-carboxamide;9H-pyrido[3,4-b]indole?
The IUPAC name of furan-2-carboxamide;9H-pyrido[3,4-b]indole (CID 175128472) is furan-2-carboxamide;9H-pyrido[3,4-b]indole.
What is the SMILES notation for furan-2-carboxamide;9H-pyrido[3,4-b]indole?
The canonical SMILES for furan-2-carboxamide;9H-pyrido[3,4-b]indole is NC(=O)c1ccco1.c1ccc2c(c1)[nH]c1cnccc12.
What is the InChIKey of furan-2-carboxamide;9H-pyrido[3,4-b]indole?
The InChIKey is SSZPLPYKYKXNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2.C5H5NO2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;6-5(7)4-2-1-3-8-4/h1-7,13H;1-3H,(H2,6,7).
What are the key properties of furan-2-carboxamide;9H-pyrido[3,4-b]indole?
furan-2-carboxamide;9H-pyrido[3,4-b]indole has a molecular weight of 279.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-carboxamide;9H-pyrido[3,4-b]indole is sourced from PubChem (CID 175128472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).