N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

C30H34F3N7O2 — CID 66799024

IUPACN-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(N(C)C)n1
InChIInChI=1S/C30H34F3N7O2/c1-18-16-25(37-29(35-18)38(2)3)40-14-11-21(12-15-40)39(4)28(42)20-8-7-19-9-10-24(23(19)17-20)36-27(41)22-6-5-13-34-26(22)30(31,32)33/h5-8,13,16-17,21,24H,9-12,14-15H2,1-4H3,(H,36,41)
InChIKeyCJEONUFZJGKLGN-UHFFFAOYSA-N
MW581.64 g/mol
LogP4.42
Rot. Bonds6

About N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide

N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66799024) has the molecular formula C30H34F3N7O2 and a molecular weight of 581.64 g/mol. Its IUPAC name is N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66799024
Molecular FormulaC30H34F3N7O2
Molecular Weight581.64 g/mol
Exact Mass581.27
IUPAC NameN-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(N(C)C)n1
InChIInChI=1S/C30H34F3N7O2/c1-18-16-25(37-29(35-18)38(2)3)40-14-11-21(12-15-40)39(4)28(42)20-8-7-19-9-10-24(23(19)17-20)36-27(41)22-6-5-13-34-26(22)30(31,32)33/h5-8,13,16-17,21,24H,9-12,14-15H2,1-4H3,(H,36,41)
InChIKeyCJEONUFZJGKLGN-UHFFFAOYSA-N
XLogP4.42
TPSA94.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.64
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide (CID 66799024) is N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3cccnc3C(F)(F)F)CC4)CC2)nc(N(C)C)n1.
What is the InChIKey of N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is CJEONUFZJGKLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N7O2/c1-18-16-25(37-29(35-18)38(2)3)40-14-11-21(12-15-40)39(4)28(42)20-8-7-19-9-10-24(23(19)17-20)36-27(41)22-6-5-13-34-26(22)30(31,32)33/h5-8,13,16-17,21,24H,9-12,14-15H2,1-4H3,(H,36,41).
What are the key properties of N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide?
N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 581.64 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[1-[2-(dimethylamino)-6-methylpyrimidin-4-yl]piperidin-4-yl]-methylcarbamoyl]-2,3-dihydro-1H-inden-1-yl]-2-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 66799024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).