N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C17H16F3N3O2 — CID 155464267

IUPACN-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1N)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c1-8-2-3-9-10(14(8)21)4-6-12(9)22-15(24)11-5-7-13(17(18,19)20)23-16(11)25/h2-3,5,7,12H,4,6,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyAFBHJCMMVHMSAJ-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.70
Rot. Bonds2

About N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 155464267) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID155464267
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESCc1ccc2c(c1N)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C17H16F3N3O2/c1-8-2-3-9-10(14(8)21)4-6-12(9)22-15(24)11-5-7-13(17(18,19)20)23-16(11)25/h2-3,5,7,12H,4,6,21H2,1H3,(H,22,24)(H,23,25)
InChIKeyAFBHJCMMVHMSAJ-UHFFFAOYSA-N
XLogP2.70
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 155464267) is N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is Cc1ccc2c(c1N)CCC2NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is AFBHJCMMVHMSAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-8-2-3-9-10(14(8)21)4-6-12(9)22-15(24)11-5-7-13(17(18,19)20)23-16(11)25/h2-3,5,7,12H,4,6,21H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-2,3-dihydro-1H-inden-1-yl)-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155464267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).