3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

C32H35ClF3N5O2 — CID 56941442

IUPAC3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC4)CC2)cc(C)n1
InChIInChI=1S/C32H35ClF3N5O2/c1-19-15-25(16-20(2)37-19)41-13-11-24(12-14-41)39(3)30(42)22-6-5-21-7-10-29(26(21)17-22)40(4)31(43)38-28-9-8-23(33)18-27(28)32(34,35)36/h5-6,8-9,15-18,24,29H,7,10-14H2,1-4H3,(H,38,43)
InChIKeyLYNNFBSCXIUISS-UHFFFAOYSA-N
MW614.11 g/mol
LogP7.26
Rot. Bonds5

About 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide

3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 56941442) has the molecular formula C32H35ClF3N5O2 and a molecular weight of 614.11 g/mol. Its IUPAC name is 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound Name3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID56941442
Molecular FormulaC32H35ClF3N5O2
Molecular Weight614.11 g/mol
Exact Mass613.24
IUPAC Name3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC4)CC2)cc(C)n1
InChIInChI=1S/C32H35ClF3N5O2/c1-19-15-25(16-20(2)37-19)41-13-11-24(12-14-41)39(3)30(42)22-6-5-21-7-10-29(26(21)17-22)40(4)31(43)38-28-9-8-23(33)18-27(28)32(34,35)36/h5-6,8-9,15-18,24,29H,7,10-14H2,1-4H3,(H,38,43)
InChIKeyLYNNFBSCXIUISS-UHFFFAOYSA-N
XLogP7.26
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.11
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide (CID 56941442) is 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(N(C)C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC4)CC2)cc(C)n1.
What is the InChIKey of 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is LYNNFBSCXIUISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35ClF3N5O2/c1-19-15-25(16-20(2)37-19)41-13-11-24(12-14-41)39(3)30(42)22-6-5-21-7-10-29(26(21)17-22)40(4)31(43)38-28-9-8-23(33)18-27(28)32(34,35)36/h5-6,8-9,15-18,24,29H,7,10-14H2,1-4H3,(H,38,43).
What are the key properties of 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide?
3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 614.11 g/mol, XLogP of 7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-2-(trifluoromethyl)phenyl]carbamoyl-methylamino]-N-[1-(2,6-dimethyl-4-pyridinyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 56941442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).