N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

C18H16F3N3O2 — CID 137354206

IUPACN-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN[C@H]1CCc2c(ccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2C=O)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)16-6-2-11(8-23-16)17(26)24-15-5-1-10-7-12(22)3-4-13(10)14(15)9-25/h1-2,5-6,8-9,12H,3-4,7,22H2,(H,24,26)/t12-/m0/s1
InChIKeyBVTIJLUJKFHKID-LBPRGKRZSA-N
MW363.34 g/mol
LogP2.98
Rot. Bonds3

About N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide

N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 137354206) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID137354206
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC NameN-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESN[C@H]1CCc2c(ccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2C=O)C1
InChIInChI=1S/C18H16F3N3O2/c19-18(20,21)16-6-2-11(8-23-16)17(26)24-15-5-1-10-7-12(22)3-4-13(10)14(15)9-25/h1-2,5-6,8-9,12H,3-4,7,22H2,(H,24,26)/t12-/m0/s1
InChIKeyBVTIJLUJKFHKID-LBPRGKRZSA-N
XLogP2.98
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
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-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 137354206) is N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is N[C@H]1CCc2c(ccc(NC(=O)c3ccc(C(F)(F)F)nc3)c2C=O)C1.
What is the InChIKey of N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BVTIJLUJKFHKID-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c19-18(20,21)16-6-2-11(8-23-16)17(26)24-15-5-1-10-7-12(22)3-4-13(10)14(15)9-25/h1-2,5-6,8-9,12H,3-4,7,22H2,(H,24,26)/t12-/m0/s1.
What are the key properties of N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-amino-1-formyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 137354206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).