4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide

C16H18N2O3 — CID 42442433

IUPAC4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C16H18N2O3/c1-11(2)18-16(20)13-8-14(19)15(9-17-13)21-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUJFYCEBXDMAXDL-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.09
Rot. Bonds5

About 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide

4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide (PubChem CID 42442433) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide.

Molecular Properties

Compound Name4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide
PubChem CID42442433
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1
InChIInChI=1S/C16H18N2O3/c1-11(2)18-16(20)13-8-14(19)15(9-17-13)21-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyUJFYCEBXDMAXDL-UHFFFAOYSA-N
XLogP2.09
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide?
The IUPAC name of 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide (CID 42442433) is 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide.
What is the SMILES notation for 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide?
The canonical SMILES for 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide is CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1.
What is the InChIKey of 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide?
The InChIKey is UJFYCEBXDMAXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2)18-16(20)13-8-14(19)15(9-17-13)21-10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide?
4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-5-phenylmethoxy-N-propan-2-yl-1H-pyridine-2-carboxamide is sourced from PubChem (CID 42442433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).