N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

C16H13F3N2O2 — CID 154758238

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-11(7-20-8-12)15(22)21-13-6-10-3-1-2-4-14(10)23-9-13/h1-5,7-8,13H,6,9H2,(H,21,22)
InChIKeyOWJOKDLGKBVWAE-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.83
Rot. Bonds2

About N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 154758238) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID154758238
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1COc2ccccc2C1)c1cncc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-11(7-20-8-12)15(22)21-13-6-10-3-1-2-4-14(10)23-9-13/h1-5,7-8,13H,6,9H2,(H,21,22)
InChIKeyOWJOKDLGKBVWAE-UHFFFAOYSA-N
XLogP2.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-3-yl)pyridine-3-carboxamide
CID 110751511
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 93499192
4-chloro-N-(3,4-dihydro-2H-chromen-3-yl)benzamide
CID 110751510
N-(3,4-dihydro-2H-chromen-3-yl)-4-(dimethylamino)benzamide
CID 110751024
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-1-ethylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 137489588
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 94466647
N-(3,4-dihydro-2H-chromen-3-yl)-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 70739420
2,2,2-trifluoro-N-[(3R)-6-(trifluoromethyl)-3,4-dihydro-2H-chromen-3-yl]acetamide
CID 146450882
3-amino-N-[(3S)-3,4-dihydro-2H-chromen-3-yl]pyrazine-2-carboxamide
CID 94066552
3-amino-N-(3,4-dihydro-2H-chromen-3-yl)pyrazine-2-carboxamide
CID 102556079
N-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 141437976
N-(3,4-dihydro-2H-chromen-3-yl)-6-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 166652030

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 154758238) is N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is O=C(NC1COc2ccccc2C1)c1cncc(C(F)(F)F)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is OWJOKDLGKBVWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c17-16(18,19)12-5-11(7-20-8-12)15(22)21-13-6-10-3-1-2-4-14(10)23-9-13/h1-5,7-8,13H,6,9H2,(H,21,22).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 154758238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).