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

C28H28F3N5O2 — CID 56941726

IUPACN-[(1R)-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@H](NC(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H28F3N5O2/c1-35(20-9-14-36(15-10-20)21-6-11-32-12-7-21)27(38)19-3-2-18-4-5-25(22(18)16-19)34-26(37)23-17-33-13-8-24(23)28(29,30)31/h2-3,6-8,11-13,16-17,20,25H,4-5,9-10,14-15H2,1H3,(H,34,37)/t25-/m1/s1
InChIKeyHTBCYXUGRILTRQ-RUZDIDTESA-N
MW523.56 g/mol
LogP4.65
Rot. Bonds5

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

N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 56941726) has the molecular formula C28H28F3N5O2 and a molecular weight of 523.56 g/mol. Its IUPAC name is N-[(1R)-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-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID56941726
Molecular FormulaC28H28F3N5O2
Molecular Weight523.56 g/mol
Exact Mass523.22
IUPAC NameN-[(1R)-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@H](NC(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C28H28F3N5O2/c1-35(20-9-14-36(15-10-20)21-6-11-32-12-7-21)27(38)19-3-2-18-4-5-25(22(18)16-19)34-26(37)23-17-33-13-8-24(23)28(29,30)31/h2-3,6-8,11-13,16-17,20,25H,4-5,9-10,14-15H2,1H3,(H,34,37)/t25-/m1/s1
InChIKeyHTBCYXUGRILTRQ-RUZDIDTESA-N
XLogP4.65
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.56
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-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-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 56941726) is N-[(1R)-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-[(1R)-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-[(1R)-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@H](NC(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is HTBCYXUGRILTRQ-RUZDIDTESA-N. The full InChI is InChI=1S/C28H28F3N5O2/c1-35(20-9-14-36(15-10-20)21-6-11-32-12-7-21)27(38)19-3-2-18-4-5-25(22(18)16-19)34-26(37)23-17-33-13-8-24(23)28(29,30)31/h2-3,6-8,11-13,16-17,20,25H,4-5,9-10,14-15H2,1H3,(H,34,37)/t25-/m1/s1.
What are the key properties of N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1R)-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 523.56 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-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 56941726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).