2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid

C19H17F3N2O5 — CID 175839307

IUPAC2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cc(-c2ccc3c(c2CC(=O)O)CCC3)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H16N2O3.C2HF3O2/c18-17(22)15-8-11(6-7-19-15)13-5-4-10-2-1-3-12(10)14(13)9-16(20)21;3-2(4,5)1(6)7/h4-8H,1-3,9H2,(H2,18,22)(H,20,21);(H,6,7)
InChIKeyNRADODBGTYFTQQ-UHFFFAOYSA-N
MW410.35 g/mol
LogP2.60
Rot. Bonds4

About 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid

2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid (PubChem CID 175839307) has the molecular formula C19H17F3N2O5 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid
PubChem CID175839307
Molecular FormulaC19H17F3N2O5
Molecular Weight410.35 g/mol
Exact Mass410.11
IUPAC Name2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cc(-c2ccc3c(c2CC(=O)O)CCC3)ccn1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H16N2O3.C2HF3O2/c18-17(22)15-8-11(6-7-19-15)13-5-4-10-2-1-3-12(10)14(13)9-16(20)21;3-2(4,5)1(6)7/h4-8H,1-3,9H2,(H2,18,22)(H,20,21);(H,6,7)
InChIKeyNRADODBGTYFTQQ-UHFFFAOYSA-N
XLogP2.60
TPSA130.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

tert-butyl 2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetate;2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2-[5-(2-cyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid
CID 159404807
N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158332853
4-[5-fluoro-2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 123325760
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158980274
5-[3-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]propoxymethyl]-1-cyclopropylpyrazole-3-sulfonamide;2,2,2-trifluoroacetic acid
CID 167591673
N-[1-cyclopropyl-5-[1-(dimethylamino)ethyl]pyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158485024
2-(5-propan-2-yl-2,3-dihydro-1H-inden-4-yl)acetic acid
CID 137443462
N-(1-cyclopropylpyrazol-3-yl)sulfonyl-2-[5-(2-isocyano-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 155761082
4-[3-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carboxamide
CID 166325517
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282
5-(2-phenyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 146388613
6,7-dihydro-5H-cyclopenta[c]pyridine-1-carboxylic acid
CID 83669226

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid (CID 175839307) is 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid is NC(=O)c1cc(-c2ccc3c(c2CC(=O)O)CCC3)ccn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
The InChIKey is NRADODBGTYFTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3.C2HF3O2/c18-17(22)15-8-11(6-7-19-15)13-5-4-10-2-1-3-12(10)14(13)9-16(20)21;3-2(4,5)1(6)7/h4-8H,1-3,9H2,(H2,18,22)(H,20,21);(H,6,7).
What are the key properties of 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid?
2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid has a molecular weight of 410.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175839307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).