N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine

C16H13N3O — CID 154632594

IUPACN-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine
SMILESc1ccc2c(c1)[nH]c1cnc(NCc3ccoc3)cc12
InChIInChI=1S/C16H13N3O/c1-2-4-14-12(3-1)13-7-16(18-9-15(13)19-14)17-8-11-5-6-20-10-11/h1-7,9-10,19H,8H2,(H,17,18)
InChIKeyWPFGOPPCZPGENN-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.92
Rot. Bonds3

About N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine

N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine (PubChem CID 154632594) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine
PubChem CID154632594
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC NameN-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine
SMILESc1ccc2c(c1)[nH]c1cnc(NCc3ccoc3)cc12
InChIInChI=1S/C16H13N3O/c1-2-4-14-12(3-1)13-7-16(18-9-15(13)19-14)17-8-11-5-6-20-10-11/h1-7,9-10,19H,8H2,(H,17,18)
InChIKeyWPFGOPPCZPGENN-UHFFFAOYSA-N
XLogP3.92
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine?
The IUPAC name of N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine (CID 154632594) is N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine is c1ccc2c(c1)[nH]c1cnc(NCc3ccoc3)cc12.
What is the InChIKey of N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine?
The InChIKey is WPFGOPPCZPGENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-2-4-14-12(3-1)13-7-16(18-9-15(13)19-14)17-8-11-5-6-20-10-11/h1-7,9-10,19H,8H2,(H,17,18).
What are the key properties of N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine?
N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine has a molecular weight of 263.30 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-9H-pyrido[3,4-b]indol-3-amine is sourced from PubChem (CID 154632594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).