N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride

C22H18ClF3N2O — CID 21253373

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCC2)c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O.ClH/c23-22(24,25)17-9-6-15(7-10-17)20-19(5-2-12-26-20)21(28)27-18-11-8-14-3-1-4-16(14)13-18;/h2,5-13H,1,3-4H2,(H,27,28);1H
InChIKeyPENCWSFGZWEESE-UHFFFAOYSA-N
MW418.85 g/mol
LogP5.93
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride

N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride (PubChem CID 21253373) has the molecular formula C22H18ClF3N2O and a molecular weight of 418.85 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
PubChem CID21253373
Molecular FormulaC22H18ClF3N2O
Molecular Weight418.85 g/mol
Exact Mass418.11
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCC2)c1cccnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H17F3N2O.ClH/c23-22(24,25)17-9-6-15(7-10-17)20-19(5-2-12-26-20)21(28)27-18-11-8-14-3-1-4-16(14)13-18;/h2,5-13H,1,3-4H2,(H,27,28);1H
InChIKeyPENCWSFGZWEESE-UHFFFAOYSA-N
XLogP5.93
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.85
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride (CID 21253373) is N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CCC2)c1cccnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
The InChIKey is PENCWSFGZWEESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O.ClH/c23-22(24,25)17-9-6-15(7-10-17)20-19(5-2-12-26-20)21(28)27-18-11-8-14-3-1-4-16(14)13-18;/h2,5-13H,1,3-4H2,(H,27,28);1H.
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride?
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride has a molecular weight of 418.85 g/mol, XLogP of 5.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 21253373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).