3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

C19H15FN4O3 — CID 143374751

IUPAC3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ncccc2c1NC(=O)N1CC=C(c2ccc(F)cc2)C1
InChIInChI=1S/C19H15FN4O3/c20-13-5-3-11(4-6-13)12-7-9-24(10-12)19(26)23-15-14-2-1-8-22-18(14)27-16(15)17(21)25/h1-8H,9-10H2,(H2,21,25)(H,23,26)
InChIKeyXQXHWBQZHKVPLL-UHFFFAOYSA-N
MW366.35 g/mol
LogP3.00
Rot. Bonds3

About 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide

3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (PubChem CID 143374751) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
PubChem CID143374751
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC Name3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide
SMILESNC(=O)c1oc2ncccc2c1NC(=O)N1CC=C(c2ccc(F)cc2)C1
InChIInChI=1S/C19H15FN4O3/c20-13-5-3-11(4-6-13)12-7-9-24(10-12)19(26)23-15-14-2-1-8-22-18(14)27-16(15)17(21)25/h1-8H,9-10H2,(H2,21,25)(H,23,26)
InChIKeyXQXHWBQZHKVPLL-UHFFFAOYSA-N
XLogP3.00
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide (CID 143374751) is 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is NC(=O)c1oc2ncccc2c1NC(=O)N1CC=C(c2ccc(F)cc2)C1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
The InChIKey is XQXHWBQZHKVPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c20-13-5-3-11(4-6-13)12-7-9-24(10-12)19(26)23-15-14-2-1-8-22-18(14)27-16(15)17(21)25/h1-8H,9-10H2,(H2,21,25)(H,23,26).
What are the key properties of 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide?
3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide has a molecular weight of 366.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]amino]furo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 143374751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).