N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide

C16H13FN2O2 — CID 95318825

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(F)nc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13FN2O2/c1-10(14-8-11-4-2-3-5-13(11)21-14)19-16(20)12-6-7-15(17)18-9-12/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyVLUGXCQMZAFNDV-SNVBAGLBSA-N
MW284.29 g/mol
LogP3.46
Rot. Bonds3

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide (PubChem CID 95318825) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
PubChem CID95318825
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1ccc(F)nc1)c1cc2ccccc2o1
InChIInChI=1S/C16H13FN2O2/c1-10(14-8-11-4-2-3-5-13(11)21-14)19-16(20)12-6-7-15(17)18-9-12/h2-10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyVLUGXCQMZAFNDV-SNVBAGLBSA-N
XLogP3.46
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]quinoxaline-6-carboxamide
CID 39966545
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[1-(1-benzofuran-2-yl)ethyl]-4-(methylsulfanylmethyl)benzamide
CID 45353703
N-[1-(1-benzofuran-2-yl)ethyl]-2-bromopyridine-4-carboxamide
CID 103752003
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
6-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-3-carboxamide
CID 63977964
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
N-[1-(1-benzofuran-2-yl)ethyl]-4-propan-2-ylsulfonylbenzamide
CID 46489933
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-sulfamoylbenzamide
CID 26383582

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide (CID 95318825) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide is C[C@@H](NC(=O)c1ccc(F)nc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
The InChIKey is VLUGXCQMZAFNDV-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10(14-8-11-4-2-3-5-13(11)21-14)19-16(20)12-6-7-15(17)18-9-12/h2-10H,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide has a molecular weight of 284.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-6-fluoropyridine-3-carboxamide is sourced from PubChem (CID 95318825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).