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

C20H23FN2O — CID 129107331

IUPACN-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1N(/C=C\F)C(C)C
InChIInChI=1S/C20H23FN2O/c1-12(2)17-9-8-16-15-7-6-14(5)18(19(15)24-20(16)22-17)23(11-10-21)13(3)4/h6-13H,1-5H3/b11-10-
InChIKeyWEHZQURKMUCSNN-KHPPLWFESA-N
MW326.42 g/mol
LogP6.07
Rot. Bonds4

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

N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine (PubChem CID 129107331) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine.

Molecular Properties

Compound NameN-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine
PubChem CID129107331
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine
SMILESCc1ccc2c(oc3nc(C(C)C)ccc32)c1N(/C=C\F)C(C)C
InChIInChI=1S/C20H23FN2O/c1-12(2)17-9-8-16-15-7-6-14(5)18(19(15)24-20(16)22-17)23(11-10-21)13(3)4/h6-13H,1-5H3/b11-10-
InChIKeyWEHZQURKMUCSNN-KHPPLWFESA-N
XLogP6.07
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine?
The IUPAC name of N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine (CID 129107331) is N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine.
What is the SMILES notation for N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine?
The canonical SMILES for N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine is Cc1ccc2c(oc3nc(C(C)C)ccc32)c1N(/C=C\F)C(C)C.
What is the InChIKey of N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine?
The InChIKey is WEHZQURKMUCSNN-KHPPLWFESA-N. The full InChI is InChI=1S/C20H23FN2O/c1-12(2)17-9-8-16-15-7-6-14(5)18(19(15)24-20(16)22-17)23(11-10-21)13(3)4/h6-13H,1-5H3/b11-10-.
What are the key properties of N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine?
N-[(Z)-2-fluoroethenyl]-7-methyl-N,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine has a molecular weight of 326.42 g/mol, XLogP of 6.07, 4 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,2-di(propan-2-yl)-[1]benzofuro[2,3-b]pyridin-8-amine is sourced from PubChem (CID 129107331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).