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

C28H28F3N5O2 — CID 66798596

IUPACN-[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(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)
InChIKeyHTBCYXUGRILTRQ-UHFFFAOYSA-N
MW523.56 g/mol
LogP4.65
Rot. Bonds5

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

N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 66798596) has the molecular formula C28H28F3N5O2 and a molecular weight of 523.56 g/mol. Its IUPAC name is 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-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID66798596
Molecular FormulaC28H28F3N5O2
Molecular Weight523.56 g/mol
Exact Mass523.22
IUPAC NameN-[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(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)
InChIKeyHTBCYXUGRILTRQ-UHFFFAOYSA-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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Related Compounds

(3R)-3-[(2-chlorobenzoyl)amino]-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66798270
2-methoxy-N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 66798383
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56941586
tert-butyl N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]carbamate
CID 66798861
3-(3,3-dimethylbutanoylamino)-N-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799010
N-[7-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 56941149
(3R)-N-methyl-3-(3-methylbutanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 66799175
(3R)-N-methyl-3-(pentanoylamino)-N-(1-pyridin-4-ylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 174679771
N-[(1R)-6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 66798989
(3R)-3-[(2-chlorobenzoyl)amino]-N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 66798635
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 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-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide (CID 66798596) is 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-[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-[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(NC(=O)c1cnccc1C(F)(F)F)CC2)C1CCN(c2ccncc2)CC1.
What is the InChIKey of 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 HTBCYXUGRILTRQ-UHFFFAOYSA-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).
What are the key properties of N-[6-[methyl-(1-pyridin-4-ylpiperidin-4-yl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethyl)pyridine-3-carboxamide?
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 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-[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 66798596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).