2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide

C20H18N2O4 — CID 42531066

IUPAC2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1cccnc1Oc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-13-11-17(23)25-14(2)18(13)19(24)22-12-15-7-6-10-21-20(15)26-16-8-4-3-5-9-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyYVNDSJFXGCAAFH-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.37
Rot. Bonds5

About 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide

2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide (PubChem CID 42531066) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide
PubChem CID42531066
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)NCc1cccnc1Oc1ccccc1
InChIInChI=1S/C20H18N2O4/c1-13-11-17(23)25-14(2)18(13)19(24)22-12-15-7-6-10-21-20(15)26-16-8-4-3-5-9-16/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyYVNDSJFXGCAAFH-UHFFFAOYSA-N
XLogP3.37
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
N-[(2-ethoxy-3-pyridinyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70746076
2-(2-chloro-4-fluorophenyl)-N-[(2-phenoxy-3-pyridinyl)methyl]acetamide
CID 56755065
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 60553697
1-benzyl-5-chloro-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-3-methylpyrazole-4-carboxamide
CID 55692792
(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 25288592
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2-methylquinoline-3-carboxamide
CID 86986167
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-5-(hydroxymethyl)furan-2-carboxamide
CID 56752369
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-3-hydroxy-4-methylbenzamide
CID 56750373

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide?
The IUPAC name of 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide (CID 42531066) is 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)NCc1cccnc1Oc1ccccc1.
What is the InChIKey of 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide?
The InChIKey is YVNDSJFXGCAAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-11-17(23)25-14(2)18(13)19(24)22-12-15-7-6-10-21-20(15)26-16-8-4-3-5-9-16/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide?
2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide has a molecular weight of 350.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyran-3-carboxamide is sourced from PubChem (CID 42531066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).