N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide

C19H22N2O4 — CID 22122746

IUPACN-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)C(C)(O)C(C)(C)O2
InChIInChI=1S/C19H22N2O4/c1-12(22)20-13-8-9-15-14(11-13)17(19(4,24)18(2,3)25-15)21-10-6-5-7-16(21)23/h5-11,17,24H,1-4H3,(H,20,22)
InChIKeyIMICIBIRVNILPO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.32
Rot. Bonds2

About N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide

N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide (PubChem CID 22122746) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide
PubChem CID22122746
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)C(C)(O)C(C)(C)O2
InChIInChI=1S/C19H22N2O4/c1-12(22)20-13-8-9-15-14(11-13)17(19(4,24)18(2,3)25-15)21-10-6-5-7-16(21)23/h5-11,17,24H,1-4H3,(H,20,22)
InChIKeyIMICIBIRVNILPO-UHFFFAOYSA-N
XLogP2.32
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide?
The IUPAC name of N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide (CID 22122746) is N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide.
What is the SMILES notation for N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide?
The canonical SMILES for N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide is CC(=O)Nc1ccc2c(c1)C(n1ccccc1=O)C(C)(O)C(C)(C)O2.
What is the InChIKey of N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide?
The InChIKey is IMICIBIRVNILPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12(22)20-13-8-9-15-14(11-13)17(19(4,24)18(2,3)25-15)21-10-6-5-7-16(21)23/h5-11,17,24H,1-4H3,(H,20,22).
What are the key properties of N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide?
N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)-4H-chromen-6-yl]acetamide is sourced from PubChem (CID 22122746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).