N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine

C17H17FN2O — CID 118074708

IUPACN-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESCc1ccc2c(oc3ncccc32)c1N(/C=C\F)C(C)C
InChIInChI=1S/C17H17FN2O/c1-11(2)20(10-8-18)15-12(3)6-7-13-14-5-4-9-19-17(14)21-16(13)15/h4-11H,1-3H3/b10-8-
InChIKeyVRMZULFZCXSFBY-NTMALXAHSA-N
MW284.33 g/mol
LogP4.94
Rot. Bonds3

About N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine

N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine (PubChem CID 118074708) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine.

Molecular Properties

Compound NameN-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine
PubChem CID118074708
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESCc1ccc2c(oc3ncccc32)c1N(/C=C\F)C(C)C
InChIInChI=1S/C17H17FN2O/c1-11(2)20(10-8-18)15-12(3)6-7-13-14-5-4-9-19-17(14)21-16(13)15/h4-11H,1-3H3/b10-8-
InChIKeyVRMZULFZCXSFBY-NTMALXAHSA-N
XLogP4.94
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine?
The IUPAC name of N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine (CID 118074708) is N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine.
What is the SMILES notation for N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine?
The canonical SMILES for N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine is Cc1ccc2c(oc3ncccc32)c1N(/C=C\F)C(C)C.
What is the InChIKey of N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine?
The InChIKey is VRMZULFZCXSFBY-NTMALXAHSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-11(2)20(10-8-18)15-12(3)6-7-13-14-5-4-9-19-17(14)21-16(13)15/h4-11H,1-3H3/b10-8-.
What are the key properties of N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine?
N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine has a molecular weight of 284.33 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-fluoroethenyl]-7-methyl-N-propan-2-yl-[1]benzofuro[2,3-b]pyridin-8-amine is sourced from PubChem (CID 118074708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).