N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

C16H14F3N3O2 — CID 118694682

IUPACN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESN[C@H]1COc2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)14-6-10(3-4-21-14)15(23)22-12-2-1-9-5-11(20)8-24-13(9)7-12/h1-4,6-7,11H,5,8,20H2,(H,22,23)/t11-/m1/s1
InChIKeyZIXMJUDJEHWBIY-LLVKDONJSA-N
MW337.30 g/mol
LogP2.61
Rot. Bonds2

About N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 118694682) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID118694682
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC NameN-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESN[C@H]1COc2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)14-6-10(3-4-21-14)15(23)22-12-2-1-9-5-11(20)8-24-13(9)7-12/h1-4,6-7,11H,5,8,20H2,(H,22,23)/t11-/m1/s1
InChIKeyZIXMJUDJEHWBIY-LLVKDONJSA-N
XLogP2.61
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 118694682) is N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is N[C@H]1COc2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C1.
What is the InChIKey of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is ZIXMJUDJEHWBIY-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)14-6-10(3-4-21-14)15(23)22-12-2-1-9-5-11(20)8-24-13(9)7-12/h1-4,6-7,11H,5,8,20H2,(H,22,23)/t11-/m1/s1.
What are the key properties of N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 337.30 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-amino-3,4-dihydro-2H-chromen-7-yl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 118694682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).