N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C26H19F3N2O3 — CID 177202065

IUPACN-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(C=O)n1
InChIInChI=1S/C26H19F3N2O3/c1-16(23-6-3-5-20(15-32)31-23)30-25(33)18-8-13-22-17(14-18)4-2-7-24(22)34-21-11-9-19(10-12-21)26(27,28)29/h2-16H,1H3,(H,30,33)/t16-/m1/s1
InChIKeyMVAFQSDJOSUQNW-MRXNPFEDSA-N
MW464.44 g/mol
LogP6.35
Rot. Bonds6

About N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 177202065) has the molecular formula C26H19F3N2O3 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID177202065
Molecular FormulaC26H19F3N2O3
Molecular Weight464.44 g/mol
Exact Mass464.13
IUPAC NameN-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(C=O)n1
InChIInChI=1S/C26H19F3N2O3/c1-16(23-6-3-5-20(15-32)31-23)30-25(33)18-8-13-22-17(14-18)4-2-7-24(22)34-21-11-9-19(10-12-21)26(27,28)29/h2-16H,1H3,(H,30,33)/t16-/m1/s1
InChIKeyMVAFQSDJOSUQNW-MRXNPFEDSA-N
XLogP6.35
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.44
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 177202065) is N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc(C=O)n1.
What is the InChIKey of N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is MVAFQSDJOSUQNW-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H19F3N2O3/c1-16(23-6-3-5-20(15-32)31-23)30-25(33)18-8-13-22-17(14-18)4-2-7-24(22)34-21-11-9-19(10-12-21)26(27,28)29/h2-16H,1H3,(H,30,33)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(6-formyl-2-pyridinyl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 177202065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).