N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H14F3N3O — CID 124617084

IUPACN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#C[C@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCc2ccccc2C1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-6-5-14(10-23-15)16(25)24-17(11-22)8-7-12-3-1-2-4-13(12)9-17/h1-6,10H,7-9H2,(H,24,25)/t17-/m0/s1
InChIKeyWKGZFOLANGMZAY-KRWDZBQOSA-N
MW345.32 g/mol
LogP3.28
Rot. Bonds2

About N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 124617084) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID124617084
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN#C[C@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCc2ccccc2C1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)15-6-5-14(10-23-15)16(25)24-17(11-22)8-7-12-3-1-2-4-13(12)9-17/h1-6,10H,7-9H2,(H,24,25)/t17-/m0/s1
InChIKeyWKGZFOLANGMZAY-KRWDZBQOSA-N
XLogP3.28
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 124617084) is N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is N#C[C@]1(NC(=O)c2ccc(C(F)(F)F)nc2)CCc2ccccc2C1.
What is the InChIKey of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is WKGZFOLANGMZAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)15-6-5-14(10-23-15)16(25)24-17(11-22)8-7-12-3-1-2-4-13(12)9-17/h1-6,10H,7-9H2,(H,24,25)/t17-/m0/s1.
What are the key properties of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 124617084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).