1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide

C17H20N2O3 — CID 42440777

IUPAC1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C17H20N2O3/c1-12(2)18-17(21)14-9-15(20)16(10-19(14)3)22-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,21)
InChIKeyPGURCJVGTFYQRO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.10
Rot. Bonds5

About 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide

1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 42440777) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
PubChem CID42440777
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C17H20N2O3/c1-12(2)18-17(21)14-9-15(20)16(10-19(14)3)22-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,21)
InChIKeyPGURCJVGTFYQRO-UHFFFAOYSA-N
XLogP2.10
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide (CID 42440777) is 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)cn1C.
What is the InChIKey of 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is PGURCJVGTFYQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(2)18-17(21)14-9-15(20)16(10-19(14)3)22-11-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,21).
What are the key properties of 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide?
1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-5-phenylmethoxy-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 42440777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).