3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide

C31H33ClF3N5O2 — CID 56941296

IUPAC3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2(C)C)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C31H33ClF3N5O2/c1-30(2)18-27(38-29(42)37-26-17-20(31(33,34)35)5-7-25(26)32)23-16-19(4-6-24(23)30)28(41)39(3)21-10-14-40(15-11-21)22-8-12-36-13-9-22/h4-9,12-13,16-17,21,27H,10-11,14-15,18H2,1-3H3,(H2,37,38,42)
InChIKeyBYCGWYLLRAEEGB-UHFFFAOYSA-N
MW600.09 g/mol
LogP7.04
Rot. Bonds5

About 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide

3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide (PubChem CID 56941296) has the molecular formula C31H33ClF3N5O2 and a molecular weight of 600.09 g/mol. Its IUPAC name is 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide.

Molecular Properties

Compound Name3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
PubChem CID56941296
Molecular FormulaC31H33ClF3N5O2
Molecular Weight600.09 g/mol
Exact Mass599.23
IUPAC Name3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2(C)C)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C31H33ClF3N5O2/c1-30(2)18-27(38-29(42)37-26-17-20(31(33,34)35)5-7-25(26)32)23-16-19(4-6-24(23)30)28(41)39(3)21-10-14-40(15-11-21)22-8-12-36-13-9-22/h4-9,12-13,16-17,21,27H,10-11,14-15,18H2,1-3H3,(H2,37,38,42)
InChIKeyBYCGWYLLRAEEGB-UHFFFAOYSA-N
XLogP7.04
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.09
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-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

Related Compounds

3-[(2,5-dichlorophenyl)carbamoyl-methylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798865
3-amino-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide
CID 66799357
4-[(2,4-dichlorophenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-3,4-dihydro-2H-chromene-6-carboxamide
CID 66799026
8-[(3-chloro-4-methylphenyl)carbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66798520
8-[(2,4-dichlorophenyl)methylcarbamoylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66798757
(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
3-[(2,4-dichlorophenyl)carbamoylamino]-N-(1-isoquinolin-6-ylpiperidin-4-yl)-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798549
N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 66798596
3-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799010
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861
8-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 66799083
(3R)-3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798342

Frequently Asked Questions

What is the IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
The IUPAC name of 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide (CID 56941296) is 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide.
What is the SMILES notation for 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
The canonical SMILES for 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide is CN(C(=O)c1ccc2c(c1)C(NC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2(C)C)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
The InChIKey is BYCGWYLLRAEEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33ClF3N5O2/c1-30(2)18-27(38-29(42)37-26-17-20(31(33,34)35)5-7-25(26)32)23-16-19(4-6-24(23)30)28(41)39(3)21-10-14-40(15-11-21)22-8-12-36-13-9-22/h4-9,12-13,16-17,21,27H,10-11,14-15,18H2,1-3H3,(H2,37,38,42).
What are the key properties of 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide?
3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide has a molecular weight of 600.09 g/mol, XLogP of 7.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-N,1,1-trimethyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydroindene-5-carboxamide is sourced from PubChem (CID 56941296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).