3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine

C16H17N3O — CID 86582160

IUPAC3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCC(C)c1cccc(Nc2c(N)oc3cnccc23)c1
InChIInChI=1S/C16H17N3O/c1-10(2)11-4-3-5-12(8-11)19-15-13-6-7-18-9-14(13)20-16(15)17/h3-10,19H,17H2,1-2H3
InChIKeyXHRMLKVEEUWNSZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.28
Rot. Bonds3

About 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine

3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine (PubChem CID 86582160) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine.

Molecular Properties

Compound Name3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine
PubChem CID86582160
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine
SMILESCC(C)c1cccc(Nc2c(N)oc3cnccc23)c1
InChIInChI=1S/C16H17N3O/c1-10(2)11-4-3-5-12(8-11)19-15-13-6-7-18-9-14(13)20-16(15)17/h3-10,19H,17H2,1-2H3
InChIKeyXHRMLKVEEUWNSZ-UHFFFAOYSA-N
XLogP4.28
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The IUPAC name of 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine (CID 86582160) is 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine.
What is the SMILES notation for 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The canonical SMILES for 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine is CC(C)c1cccc(Nc2c(N)oc3cnccc23)c1.
What is the InChIKey of 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?
The InChIKey is XHRMLKVEEUWNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10(2)11-4-3-5-12(8-11)19-15-13-6-7-18-9-14(13)20-16(15)17/h3-10,19H,17H2,1-2H3.
What are the key properties of 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine?
3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine has a molecular weight of 267.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-propan-2-ylphenyl)furo[2,3-c]pyridine-2,3-diamine is sourced from PubChem (CID 86582160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).