N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

C16H18N2O3 — CID 42440772

IUPACN-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C16H18N2O3/c1-3-17-16(20)13-9-14(19)15(10-18(13)2)21-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,17,20)
InChIKeySBEJAPBJGIVMMC-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.71
Rot. Bonds5

About N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide

N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (PubChem CID 42440772) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
PubChem CID42440772
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
SMILESCCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C
InChIInChI=1S/C16H18N2O3/c1-3-17-16(20)13-9-14(19)15(10-18(13)2)21-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,17,20)
InChIKeySBEJAPBJGIVMMC-UHFFFAOYSA-N
XLogP1.71
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The IUPAC name of N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide (CID 42440772) is N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The canonical SMILES for N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is CCNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C.
What is the InChIKey of N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
The InChIKey is SBEJAPBJGIVMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-17-16(20)13-9-14(19)15(10-18(13)2)21-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide?
N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide is sourced from PubChem (CID 42440772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).