N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide

C20H23FN2O3 — CID 144806665

IUPACN-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)COc1cc(OCCCC(C)C)cc(F)c1-2
InChIInChI=1S/C20H23FN2O3/c1-12(2)5-4-6-25-15-7-17(21)20-16-9-19(23-13(3)24)22-10-14(16)11-26-18(20)8-15/h7-10,12H,4-6,11H2,1-3H3,(H,22,23,24)
InChIKeyPMCGAVHEWJMLGB-UHFFFAOYSA-N
MW358.41 g/mol
LogP4.55
Rot. Bonds6

About N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide

N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide (PubChem CID 144806665) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
PubChem CID144806665
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide
SMILESCC(=O)Nc1cc2c(cn1)COc1cc(OCCCC(C)C)cc(F)c1-2
InChIInChI=1S/C20H23FN2O3/c1-12(2)5-4-6-25-15-7-17(21)20-16-9-19(23-13(3)24)22-10-14(16)11-26-18(20)8-15/h7-10,12H,4-6,11H2,1-3H3,(H,22,23,24)
InChIKeyPMCGAVHEWJMLGB-UHFFFAOYSA-N
XLogP4.55
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The IUPAC name of N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide (CID 144806665) is N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The canonical SMILES for N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide is CC(=O)Nc1cc2c(cn1)COc1cc(OCCCC(C)C)cc(F)c1-2.
What is the InChIKey of N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
The InChIKey is PMCGAVHEWJMLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-12(2)5-4-6-25-15-7-17(21)20-16-9-19(23-13(3)24)22-10-14(16)11-26-18(20)8-15/h7-10,12H,4-6,11H2,1-3H3,(H,22,23,24).
What are the key properties of N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide?
N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide has a molecular weight of 358.41 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[10-fluoro-8-(4-methylpentoxy)-5H-chromeno[3,4-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 144806665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).