N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

C14H13FN2O2 — CID 56817799

IUPACN-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(F)c2)ccc1=O
InChIInChI=1S/C14H13FN2O2/c1-17-9-11(5-6-13(17)18)14(19)16-8-10-3-2-4-12(15)7-10/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyZJHDRJVOGBQDHC-UHFFFAOYSA-N
MW260.27 g/mol
LogP1.45
Rot. Bonds3

About N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide

N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 56817799) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
PubChem CID56817799
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC NameN-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
SMILESCn1cc(C(=O)NCc2cccc(F)c2)ccc1=O
InChIInChI=1S/C14H13FN2O2/c1-17-9-11(5-6-13(17)18)14(19)16-8-10-3-2-4-12(15)7-10/h2-7,9H,8H2,1H3,(H,16,19)
InChIKeyZJHDRJVOGBQDHC-UHFFFAOYSA-N
XLogP1.45
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 56817799) is N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is Cn1cc(C(=O)NCc2cccc(F)c2)ccc1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is ZJHDRJVOGBQDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-17-9-11(5-6-13(17)18)14(19)16-8-10-3-2-4-12(15)7-10/h2-7,9H,8H2,1H3,(H,16,19).
What are the key properties of N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide?
N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 56817799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).