6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide

C23H18F2N4O2 — CID 90909022

IUPAC6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide
SMILESO=C1Cc2ccc(C=CCNC(=O)c3cccc(Nc4ccc(F)c(F)c4)n3)cc2N1
InChIInChI=1S/C23H18F2N4O2/c24-17-9-8-16(13-18(17)25)27-21-5-1-4-19(28-21)23(31)26-10-2-3-14-6-7-15-12-22(30)29-20(15)11-14/h1-9,11,13H,10,12H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyRVVHYXKNCRKRGS-UHFFFAOYSA-N
MW420.42 g/mol
LogP4.04
Rot. Bonds6

About 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide

6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide (PubChem CID 90909022) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide
PubChem CID90909022
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide
SMILESO=C1Cc2ccc(C=CCNC(=O)c3cccc(Nc4ccc(F)c(F)c4)n3)cc2N1
InChIInChI=1S/C23H18F2N4O2/c24-17-9-8-16(13-18(17)25)27-21-5-1-4-19(28-21)23(31)26-10-2-3-14-6-7-15-12-22(30)29-20(15)11-14/h1-9,11,13H,10,12H2,(H,26,31)(H,27,28)(H,29,30)
InChIKeyRVVHYXKNCRKRGS-UHFFFAOYSA-N
XLogP4.04
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.42
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide (CID 90909022) is 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide is O=C1Cc2ccc(C=CCNC(=O)c3cccc(Nc4ccc(F)c(F)c4)n3)cc2N1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide?
The InChIKey is RVVHYXKNCRKRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c24-17-9-8-16(13-18(17)25)27-21-5-1-4-19(28-21)23(31)26-10-2-3-14-6-7-15-12-22(30)29-20(15)11-14/h1-9,11,13H,10,12H2,(H,26,31)(H,27,28)(H,29,30).
What are the key properties of 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide?
6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 4.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-[3-(2-oxo-1,3-dihydroindol-6-yl)prop-2-enyl]pyridine-2-carboxamide is sourced from PubChem (CID 90909022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).