5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide

C20H22F2N2O2 — CID 162379705

IUPAC5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C20H22F2N2O2/c1-2-6-24(12-19(25)13-4-3-5-23-11-13)20(26)16-7-14-9-17(21)18(22)10-15(14)8-16/h3-5,9-11,16,19,25H,2,6-8,12H2,1H3/t19-/m1/s1
InChIKeyLGFYJJHVHVUYJY-LJQANCHMSA-N
MW360.40 g/mol
LogP3.05
Rot. Bonds6

About 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide

5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 162379705) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound Name5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID162379705
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide
SMILESCCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(F)c(F)cc2C1
InChIInChI=1S/C20H22F2N2O2/c1-2-6-24(12-19(25)13-4-3-5-23-11-13)20(26)16-7-14-9-17(21)18(22)10-15(14)8-16/h3-5,9-11,16,19,25H,2,6-8,12H2,1H3/t19-/m1/s1
InChIKeyLGFYJJHVHVUYJY-LJQANCHMSA-N
XLogP3.05
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide (CID 162379705) is 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide is CCCN(C[C@@H](O)c1cccnc1)C(=O)C1Cc2cc(F)c(F)cc2C1.
What is the InChIKey of 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is LGFYJJHVHVUYJY-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-2-6-24(12-19(25)13-4-3-5-23-11-13)20(26)16-7-14-9-17(21)18(22)10-15(14)8-16/h3-5,9-11,16,19,25H,2,6-8,12H2,1H3/t19-/m1/s1.
What are the key properties of 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide?
5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 162379705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).