N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide

C18H18N2O3 — CID 899250

IUPACN-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc2c1c(=O)oc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-10(2)8-12-9-14-13-6-4-5-7-15(13)23-18(22)16(14)17(20-12)19-11(3)21/h4-7,9-10H,8H2,1-3H3,(H,19,20,21)
InChIKeyLJPUPQMKIMTAGR-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.50
Rot. Bonds3

About N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide

N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide (PubChem CID 899250) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide
PubChem CID899250
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide
SMILESCC(=O)Nc1nc(CC(C)C)cc2c1c(=O)oc1ccccc12
InChIInChI=1S/C18H18N2O3/c1-10(2)8-12-9-14-13-6-4-5-7-15(13)23-18(22)16(14)17(20-12)19-11(3)21/h4-7,9-10H,8H2,1-3H3,(H,19,20,21)
InChIKeyLJPUPQMKIMTAGR-UHFFFAOYSA-N
XLogP3.50
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
The IUPAC name of N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide (CID 899250) is N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide.
What is the SMILES notation for N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
The canonical SMILES for N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide is CC(=O)Nc1nc(CC(C)C)cc2c1c(=O)oc1ccccc12.
What is the InChIKey of N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
The InChIKey is LJPUPQMKIMTAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-10(2)8-12-9-14-13-6-4-5-7-15(13)23-18(22)16(14)17(20-12)19-11(3)21/h4-7,9-10H,8H2,1-3H3,(H,19,20,21).
What are the key properties of N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide?
N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide has a molecular weight of 310.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropyl)-5-oxochromeno[3,4-c]pyridin-4-yl]acetamide is sourced from PubChem (CID 899250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).