N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine

C19H22F3N3 — CID 170331342

IUPACN-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
SMILESCN[C@@H](c1ccc(N[C@@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C19H22F3N3/c1-18(2)14-7-5-4-6-12(14)10-16(18)25-13-8-9-15(24-11-13)17(23-3)19(20,21)22/h4-9,11,16-17,23,25H,10H2,1-3H3/t16-,17+/m1/s1
InChIKeyPGWGLVZFSTXYKF-SJORKVTESA-N
MW349.40 g/mol
LogP4.22
Rot. Bonds4

About N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine

N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine (PubChem CID 170331342) has the molecular formula C19H22F3N3 and a molecular weight of 349.40 g/mol. Its IUPAC name is N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
PubChem CID170331342
Molecular FormulaC19H22F3N3
Molecular Weight349.40 g/mol
Exact Mass349.18
IUPAC NameN-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
SMILESCN[C@@H](c1ccc(N[C@@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F
InChIInChI=1S/C19H22F3N3/c1-18(2)14-7-5-4-6-12(14)10-16(18)25-13-8-9-15(24-11-13)17(23-3)19(20,21)22/h4-9,11,16-17,23,25H,10H2,1-3H3/t16-,17+/m1/s1
InChIKeyPGWGLVZFSTXYKF-SJORKVTESA-N
XLogP4.22
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethyl-1,2-dihydroinden-2-yl)-5-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-2-amine
CID 170331025
(2S)-1-acetyl-2-amino-N-[(1S)-1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]pyrrolidine-3-carboxamide
CID 175988418
(2S,4R)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 170331541
(3S)-N-[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 170331405
[(1S,3R)-3-[[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]cyclopentyl]carbamic acid
CID 170331394
[(1R,3S)-3-[[1-[5-[[(2S)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]cyclopentyl]carbamic acid
CID 170331825
[(1S,3R)-3-[[(1S)-1-[5-[[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]cyclopentyl] carbamate
CID 170331176
N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine
CID 170331408
N-[(1S)-1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-N-methyl-6-oxo-5-azaspiro[3.4]octane-2-carboxamide
CID 170330826
N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-3-formyl-N-methyl-1,2-dihydropyridine-4-carboxamide
CID 170418979
N-[1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-1-(2-hydroxyethyl)-N-methyl-1-azaspiro[3.3]heptane-6-carboxamide
CID 170331007
tert-butyl 3-[[(1S)-1-[5-[(3,3-dimethyl-1,2-dihydroinden-2-yl)amino]-2-pyridinyl]-2,2,2-trifluoroethyl]-methylcarbamoyl]piperidine-1-carboxylate
CID 175988391

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The IUPAC name of N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine (CID 170331342) is N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine.
What is the SMILES notation for N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The canonical SMILES for N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine is CN[C@@H](c1ccc(N[C@@H]2Cc3ccccc3C2(C)C)cn1)C(F)(F)F.
What is the InChIKey of N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
The InChIKey is PGWGLVZFSTXYKF-SJORKVTESA-N. The full InChI is InChI=1S/C19H22F3N3/c1-18(2)14-7-5-4-6-12(14)10-16(18)25-13-8-9-15(24-11-13)17(23-3)19(20,21)22/h4-9,11,16-17,23,25H,10H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine?
N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine has a molecular weight of 349.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3,3-dimethyl-1,2-dihydroinden-2-yl]-6-[(1S)-2,2,2-trifluoro-1-(methylamino)ethyl]pyridin-3-amine is sourced from PubChem (CID 170331342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).