N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

C29H30F3N5O2 — CID 56941151

IUPACN-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C29H30F3N5O2/c1-35(21-10-15-37(16-11-21)22-7-12-33-13-8-22)27(38)20-4-3-19-5-6-26(23(19)17-20)36(2)28(39)24-18-34-14-9-25(24)29(30,31)32/h3-4,7-9,12-14,17-18,21,26H,5-6,10-11,15-16H2,1-2H3
InChIKeyZNUPMEMTQLKFDP-UHFFFAOYSA-N
MW537.59 g/mol
LogP5.00
Rot. Bonds5

About N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide

N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 56941151) has the molecular formula C29H30F3N5O2 and a molecular weight of 537.59 g/mol. Its IUPAC name is N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID56941151
Molecular FormulaC29H30F3N5O2
Molecular Weight537.59 g/mol
Exact Mass537.24
IUPAC NameN-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C29H30F3N5O2/c1-35(21-10-15-37(16-11-21)22-7-12-33-13-8-22)27(38)20-4-3-19-5-6-26(23(19)17-20)36(2)28(39)24-18-34-14-9-25(24)29(30,31)32/h3-4,7-9,12-14,17-18,21,26H,5-6,10-11,15-16H2,1-2H3
InChIKeyZNUPMEMTQLKFDP-UHFFFAOYSA-N
XLogP5.00
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.59
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 56941151) is N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZNUPMEMTQLKFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N5O2/c1-35(21-10-15-37(16-11-21)22-7-12-33-13-8-22)27(38)20-4-3-19-5-6-26(23(19)17-20)36(2)28(39)24-18-34-14-9-25(24)29(30,31)32/h3-4,7-9,12-14,17-18,21,26H,5-6,10-11,15-16H2,1-2H3.
What are the key properties of N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 537.59 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 56941151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).