N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide

About N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide

N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide (PubChem CID 171915363) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide.

Molecular Properties

Compound Name	N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
PubChem CID	171915363
Molecular Formula	C23H24N2O5
Molecular Weight	408.45 g/mol
Exact Mass	408.17
IUPAC Name	N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
SMILES	COc1ccc(CNC(=O)C(C)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cn1
InChI	InChI=1S/C23H24N2O5/c1-13-19(9-8-17-16-5-4-6-18(16)23(27)30-21(13)17)29-14(2)22(26)25-12-15-7-10-20(28-3)24-11-15/h7-11,14H,4-6,12H2,1-3H3,(H,25,26)
InChIKey	NSUUSIYASGJNGL-UHFFFAOYSA-N
XLogP	3.08
TPSA	90.66 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.45
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?

The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide (CID 171915363) is N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide.

What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?

The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide is COc1ccc(CNC(=O)C(C)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)cn1.

What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?

The InChIKey is NSUUSIYASGJNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-13-19(9-8-17-16-5-4-6-18(16)23(27)30-21(13)17)29-14(2)22(26)25-12-15-7-10-20(28-3)24-11-15/h7-11,14H,4-6,12H2,1-3H3,(H,25,26).

What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide?

N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide has a molecular weight of 408.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide is sourced from PubChem (CID 171915363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).