N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

C20H18FN3O3 — CID 56741497

IUPACN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)c(=O)n1C
InChIInChI=1S/C20H18FN3O3/c1-13-9-10-15(20(26)24(13)2)18(25)23-12-14-6-5-11-22-19(14)27-17-8-4-3-7-16(17)21/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeySOXDVDDULHZJSM-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.95
Rot. Bonds5

About N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide

N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 56741497) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
PubChem CID56741497
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)c(=O)n1C
InChIInChI=1S/C20H18FN3O3/c1-13-9-10-15(20(26)24(13)2)18(25)23-12-14-6-5-11-22-19(14)27-17-8-4-3-7-16(17)21/h3-11H,12H2,1-2H3,(H,23,25)
InChIKeySOXDVDDULHZJSM-UHFFFAOYSA-N
XLogP2.95
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide (CID 56741497) is N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1ccc(C(=O)NCc2cccnc2Oc2ccccc2F)c(=O)n1C.
What is the InChIKey of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is SOXDVDDULHZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-13-9-10-15(20(26)24(13)2)18(25)23-12-14-6-5-11-22-19(14)27-17-8-4-3-7-16(17)21/h3-11H,12H2,1-2H3,(H,23,25).
What are the key properties of N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56741497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).