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

C23H24N2O4 — CID 171389345

IUPACN-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1c(OC(C)C(=O)N(C)Cc2ccccn2)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C23H24N2O4/c1-14-20(11-10-18-17-8-6-9-19(17)23(27)29-21(14)18)28-15(2)22(26)25(3)13-16-7-4-5-12-24-16/h4-5,7,10-12,15H,6,8-9,13H2,1-3H3
InChIKeySNZMSOQBMZODIE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.41
Rot. Bonds5

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

N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide (PubChem CID 171389345) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
PubChem CID171389345
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC NameN-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide
SMILESCc1c(OC(C)C(=O)N(C)Cc2ccccn2)ccc2c3c(c(=O)oc12)CCC3
InChIInChI=1S/C23H24N2O4/c1-14-20(11-10-18-17-8-6-9-19(17)23(27)29-21(14)18)28-15(2)22(26)25(3)13-16-7-4-5-12-24-16/h4-5,7,10-12,15H,6,8-9,13H2,1-3H3
InChIKeySNZMSOQBMZODIE-UHFFFAOYSA-N
XLogP3.41
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 171386950
2-methylpropyl (2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoate
CID 7085288
(2S)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoate
CID 2055071
N-[2-(2-hydroxyethyl)phenyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
CID 171911013
(2S)-2-[[(2R)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]amino]propanoic acid
CID 11963701
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
N-[(6-methoxy-3-pyridinyl)methyl]-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
CID 171915363
(2R)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]-2-phenylacetate
CID 2277215
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(oxan-4-yl)propanamide
CID 171386902
2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 171911455
7-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 171907696
7-[1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 171909821

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide?
The IUPAC name of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide (CID 171389345) is N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide?
The canonical SMILES for N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide is Cc1c(OC(C)C(=O)N(C)Cc2ccccn2)ccc2c3c(c(=O)oc12)CCC3.
What is the InChIKey of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide?
The InChIKey is SNZMSOQBMZODIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-14-20(11-10-18-17-8-6-9-19(17)23(27)29-21(14)18)28-15(2)22(26)25(3)13-16-7-4-5-12-24-16/h4-5,7,10-12,15H,6,8-9,13H2,1-3H3.
What are the key properties of N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide?
N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]-N-(pyridin-2-ylmethyl)propanamide is sourced from PubChem (CID 171389345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).