6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride

C20H25ClN2O4 — CID 171708901

IUPAC6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCc2cc(C)c(C(=O)N[C@H]3CCNC3)c(=O)o2)cc1.Cl
InChIInChI=1S/C20H24N2O4.ClH/c1-13-11-17(8-5-14-3-6-16(25-2)7-4-14)26-20(24)18(13)19(23)22-15-9-10-21-12-15;/h3-4,6-7,11,15,21H,5,8-10,12H2,1-2H3,(H,22,23);1H/t15-;/m0./s1
InChIKeyHLDPTEDHDIUIGS-RSAXXLAASA-N
MW392.88 g/mol
LogP2.26
Rot. Bonds6

About 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride

6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride (PubChem CID 171708901) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride
PubChem CID171708901
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride
SMILESCOc1ccc(CCc2cc(C)c(C(=O)N[C@H]3CCNC3)c(=O)o2)cc1.Cl
InChIInChI=1S/C20H24N2O4.ClH/c1-13-11-17(8-5-14-3-6-16(25-2)7-4-14)26-20(24)18(13)19(23)22-15-9-10-21-12-15;/h3-4,6-7,11,15,21H,5,8-10,12H2,1-2H3,(H,22,23);1H/t15-;/m0./s1
InChIKeyHLDPTEDHDIUIGS-RSAXXLAASA-N
XLogP2.26
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119449629
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
5-(methoxymethyl)-N-pyrrolidin-3-ylfuran-2-carboxamide;hydrochloride
CID 119450206
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
2-(4-methoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119450252
N-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170508061
N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170507657
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
4-(4-methoxyphenyl)-N-piperidin-4-ylbutanamide;hydrochloride
CID 119385919
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide;hydrochloride
CID 172909818

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride?
The IUPAC name of 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride (CID 171708901) is 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride?
The canonical SMILES for 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride is COc1ccc(CCc2cc(C)c(C(=O)N[C@H]3CCNC3)c(=O)o2)cc1.Cl.
What is the InChIKey of 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride?
The InChIKey is HLDPTEDHDIUIGS-RSAXXLAASA-N. The full InChI is InChI=1S/C20H24N2O4.ClH/c1-13-11-17(8-5-14-3-6-16(25-2)7-4-14)26-20(24)18(13)19(23)22-15-9-10-21-12-15;/h3-4,6-7,11,15,21H,5,8-10,12H2,1-2H3,(H,22,23);1H/t15-;/m0./s1.
What are the key properties of 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride?
6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride has a molecular weight of 392.88 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-N-[(3S)-pyrrolidin-3-yl]pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171708901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).