N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide

C17H16F3N3O — CID 138011362

IUPACN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cnccc1C(F)(F)F
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-5-6-22-9-11(13)8-15(24)23-14-7-10-3-1-2-4-12(10)16(14)21/h1-6,9,14,16H,7-8,21H2,(H,23,24)/t14-,16-/m1/s1
InChIKeyMXXPZEHPNFFPKC-GDBMZVCRSA-N
MW335.33 g/mol
LogP2.38
Rot. Bonds3

About N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 138011362) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID138011362
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC NameN-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESN[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cnccc1C(F)(F)F
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-5-6-22-9-11(13)8-15(24)23-14-7-10-3-1-2-4-12(10)16(14)21/h1-6,9,14,16H,7-8,21H2,(H,23,24)/t14-,16-/m1/s1
InChIKeyMXXPZEHPNFFPKC-GDBMZVCRSA-N
XLogP2.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide with MolForge

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Related Compounds

N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(4-methyl-3-pyridinyl)acetamide
CID 138049844
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]propanamide
CID 165456832
N-[(1R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-methoxyacetamide
CID 166991162
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]pyridine-4-carboxamide
CID 142582886
1-[[2-[4-(trifluoromethyl)-3-pyridinyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 166241496
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-3-(1-methylpyrazol-4-yl)propanamide;hydrochloride
CID 154901298
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(benzotriazol-1-yl)acetamide;dihydrochloride
CID 154577752
1-[4-(trifluoromethyl)-3-pyridinyl]propan-2-one
CID 115009240
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 74251445
trans-(1R,2S)-2-phenyl-N-[[4-(trifluoromethyl)-3-pyridinyl]methyl]cyclopropan-1-amine
CID 53373930
N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-1-phenylpyrazole-4-carboxamide
CID 74244794
N-(1-amino-2,3-dihydro-1H-inden-2-yl)hydroxylamine
CID 144626033

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide (CID 138011362) is N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide is N[C@@H]1c2ccccc2C[C@H]1NC(=O)Cc1cnccc1C(F)(F)F.
What is the InChIKey of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is MXXPZEHPNFFPKC-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)13-5-6-22-9-11(13)8-15(24)23-14-7-10-3-1-2-4-12(10)16(14)21/h1-6,9,14,16H,7-8,21H2,(H,23,24)/t14-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide?
N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 335.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 138011362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).