4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide

C19H18FN3O3 — CID 53007146

IUPAC4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2occc2c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3/c20-12-3-5-13(6-4-12)22-18-15-7-9-26-17(15)10-16(23-18)19(24)21-11-14-2-1-8-25-14/h3-7,9-10,14H,1-2,8,11H2,(H,21,24)(H,22,23)
InChIKeyIYCQXBFIOOYDQJ-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.62
Rot. Bonds5

About 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide

4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide (PubChem CID 53007146) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide
PubChem CID53007146
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide
SMILESO=C(NCC1CCCO1)c1cc2occc2c(Nc2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O3/c20-12-3-5-13(6-4-12)22-18-15-7-9-26-17(15)10-16(23-18)19(24)21-11-14-2-1-8-25-14/h3-7,9-10,14H,1-2,8,11H2,(H,21,24)(H,22,23)
InChIKeyIYCQXBFIOOYDQJ-UHFFFAOYSA-N
XLogP3.62
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide (CID 53007146) is 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide is O=C(NCC1CCCO1)c1cc2occc2c(Nc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide?
The InChIKey is IYCQXBFIOOYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-12-3-5-13(6-4-12)22-18-15-7-9-26-17(15)10-16(23-18)19(24)21-11-14-2-1-8-25-14/h3-7,9-10,14H,1-2,8,11H2,(H,21,24)(H,22,23).
What are the key properties of 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide?
4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-N-(oxolan-2-ylmethyl)furo[3,2-c]pyridine-6-carboxamide is sourced from PubChem (CID 53007146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).