(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide

C19H22N2O5 — CID 39889964

IUPAC(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(N)=O)c(=O)oc2c1
InChIInChI=1S/C19H22N2O5/c1-11-13-6-5-12(25-2)10-16(13)26-19(24)14(11)7-8-17(22)21-9-3-4-15(21)18(20)23/h5-6,10,15H,3-4,7-9H2,1-2H3,(H2,20,23)/t15-/m1/s1
InChIKeyFIRWUOAZQCFQQP-OAHLLOKOSA-N
MW358.39 g/mol
LogP1.52
Rot. Bonds5

About (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide

(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide (PubChem CID 39889964) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
PubChem CID39889964
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(N)=O)c(=O)oc2c1
InChIInChI=1S/C19H22N2O5/c1-11-13-6-5-12(25-2)10-16(13)26-19(24)14(11)7-8-17(22)21-9-3-4-15(21)18(20)23/h5-6,10,15H,3-4,7-9H2,1-2H3,(H2,20,23)/t15-/m1/s1
InChIKeyFIRWUOAZQCFQQP-OAHLLOKOSA-N
XLogP1.52
TPSA102.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-2-carboxylic acid
CID 40653207
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201
3-[3-(4-cyclopentylpiperazin-1-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 134020798
3-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]-4,7-dimethylchromen-2-one
CID 27034310
3-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-7-methoxy-4-methylchromen-2-one;hydrochloride
CID 119593452
ethyl 1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]piperidine-4-carboxylate
CID 46689733
3-[3-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-oxopropyl]-7-methoxy-4-methylchromen-2-one
CID 119635712
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 71951013
7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
CID 51296291
N-cyclopentyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 134060988
N-cyclohexyl-N-ethyl-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 24632596
N-[3-(aminomethyl)pentan-3-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide;hydrochloride
CID 119569253

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide (CID 39889964) is (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide is COc1ccc2c(C)c(CCC(=O)N3CCC[C@@H]3C(N)=O)c(=O)oc2c1.
What is the InChIKey of (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide?
The InChIKey is FIRWUOAZQCFQQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-11-13-6-5-12(25-2)10-16(13)26-19(24)14(11)7-8-17(22)21-9-3-4-15(21)18(20)23/h5-6,10,15H,3-4,7-9H2,1-2H3,(H2,20,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide?
(2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 39889964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).