N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

C25H19F3N2O — CID 146909371

IUPACN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1
InChIInChI=1S/C25H19F3N2O/c1-16(23-7-2-3-14-29-23)30-24(31)19-10-13-22-18(15-19)5-4-6-21(22)17-8-11-20(12-9-17)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1
InChIKeyAAZUPSFRSHFTGV-INIZCTEOSA-N
MW420.43 g/mol
LogP6.41
Rot. Bonds4

About N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide

N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (PubChem CID 146909371) has the molecular formula C25H19F3N2O and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
PubChem CID146909371
Molecular FormulaC25H19F3N2O
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1
InChIInChI=1S/C25H19F3N2O/c1-16(23-7-2-3-14-29-23)30-24(31)19-10-13-22-18(15-19)5-4-6-21(22)17-8-11-20(12-9-17)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1
InChIKeyAAZUPSFRSHFTGV-INIZCTEOSA-N
XLogP6.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.43
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide (CID 146909371) is N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is C[C@H](NC(=O)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1)c1ccccn1.
What is the InChIKey of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
The InChIKey is AAZUPSFRSHFTGV-INIZCTEOSA-N. The full InChI is InChI=1S/C25H19F3N2O/c1-16(23-7-2-3-14-29-23)30-24(31)19-10-13-22-18(15-19)5-4-6-21(22)17-8-11-20(12-9-17)25(26,27)28/h2-16H,1H3,(H,30,31)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide?
N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide has a molecular weight of 420.43 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 146909371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).