[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate

C22H19FN4O3 — CID 175357818

IUPAC[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(Nc2ccccc2F)cc(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C22H19FN4O3/c23-17-7-3-4-8-18(17)25-16-11-19(27-20(12-16)30-22(24)29)21(28)26-15-9-13-5-1-2-6-14(13)10-15/h1-8,11-12,15H,9-10H2,(H2,24,29)(H,25,27)(H,26,28)
InChIKeyJHKVHBOGTPXSOP-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.32
Rot. Bonds5

About [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate

[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate (PubChem CID 175357818) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate
PubChem CID175357818
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate
SMILESNC(=O)Oc1cc(Nc2ccccc2F)cc(C(=O)NC2Cc3ccccc3C2)n1
InChIInChI=1S/C22H19FN4O3/c23-17-7-3-4-8-18(17)25-16-11-19(27-20(12-16)30-22(24)29)21(28)26-15-9-13-5-1-2-6-14(13)10-15/h1-8,11-12,15H,9-10H2,(H2,24,29)(H,25,27)(H,26,28)
InChIKeyJHKVHBOGTPXSOP-UHFFFAOYSA-N
XLogP3.32
TPSA106.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate?
The IUPAC name of [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate (CID 175357818) is [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate.
What is the SMILES notation for [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate?
The canonical SMILES for [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate is NC(=O)Oc1cc(Nc2ccccc2F)cc(C(=O)NC2Cc3ccccc3C2)n1.
What is the InChIKey of [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate?
The InChIKey is JHKVHBOGTPXSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c23-17-7-3-4-8-18(17)25-16-11-19(27-20(12-16)30-22(24)29)21(28)26-15-9-13-5-1-2-6-14(13)10-15/h1-8,11-12,15H,9-10H2,(H2,24,29)(H,25,27)(H,26,28).
What are the key properties of [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate?
[6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate has a molecular weight of 406.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,3-dihydro-1H-inden-2-ylcarbamoyl)-4-(2-fluoroanilino)-2-pyridinyl] carbamate is sourced from PubChem (CID 175357818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).