(3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide

C24H27F3N4O2 — CID 56941868

IUPAC(3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)CC(F)(F)F)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H27F3N4O2/c1-30(18-8-12-31(13-9-18)19-6-10-28-11-7-19)23(33)17-3-2-16-4-5-21(20(16)14-17)29-22(32)15-24(25,26)27/h2-3,6-7,10-11,14,18,21H,4-5,8-9,12-13,15H2,1H3,(H,29,32)/t21-/m1/s1
InChIKeyNAPXJQLCEBQVQK-OAQYLSRUSA-N
MW460.50 g/mol
LogP3.88
Rot. Bonds5

About (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide

(3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56941868) has the molecular formula C24H27F3N4O2 and a molecular weight of 460.50 g/mol. Its IUPAC name is (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID56941868
Molecular FormulaC24H27F3N4O2
Molecular Weight460.50 g/mol
Exact Mass460.21
IUPAC Name(3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)[C@H](NC(=O)CC(F)(F)F)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C24H27F3N4O2/c1-30(18-8-12-31(13-9-18)19-6-10-28-11-7-19)23(33)17-3-2-16-4-5-21(20(16)14-17)29-22(32)15-24(25,26)27/h2-3,6-7,10-11,14,18,21H,4-5,8-9,12-13,15H2,1H3,(H,29,32)/t21-/m1/s1
InChIKeyNAPXJQLCEBQVQK-OAQYLSRUSA-N
XLogP3.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-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 (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide (CID 56941868) is (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide is CN(C(=O)c1ccc2c(c1)[C@H](NC(=O)CC(F)(F)F)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is NAPXJQLCEBQVQK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27F3N4O2/c1-30(18-8-12-31(13-9-18)19-6-10-28-11-7-19)23(33)17-3-2-16-4-5-21(20(16)14-17)29-22(32)15-24(25,26)27/h2-3,6-7,10-11,14,18,21H,4-5,8-9,12-13,15H2,1H3,(H,29,32)/t21-/m1/s1.
What are the key properties of (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide?
(3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3-(3,3,3-trifluoropropanoylamino)-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56941868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).