N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C17H15F3N2O — CID 22318683

IUPACN-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)15-8-6-13(10-21-15)16(23)22-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,22,23)
InChIKeyPGADXJLXILJUQQ-UHFFFAOYSA-N
MW320.31 g/mol
LogP3.39
Rot. Bonds2

About N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 22318683) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID22318683
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC NameN-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCc2ccccc2C1)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H15F3N2O/c18-17(19,20)15-8-6-13(10-21-15)16(23)22-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,22,23)
InChIKeyPGADXJLXILJUQQ-UHFFFAOYSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-3-carboxamide
CID 22318688
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 102555552
6-methoxy-N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]pyridine-3-carboxamide
CID 68791499
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124617084
N-(2-hydroxycyclohexyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 62359230
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
4-bromo-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)benzamide
CID 23509717
5-bromo-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyridine-2-carboxamide
CID 62953418

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 22318683) is N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1CCc2ccccc2C1)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PGADXJLXILJUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c18-17(19,20)15-8-6-13(10-21-15)16(23)22-14-7-5-11-3-1-2-4-12(11)9-14/h1-4,6,8,10,14H,5,7,9H2,(H,22,23).
What are the key properties of N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydronaphthalen-2-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 22318683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).