4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride

C22H29ClN2O4 — CID 171711825

IUPAC4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCC1COCCN1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-16-14-19(9-5-8-17-6-3-2-4-7-17)28-22(26)20(16)21(25)24-11-10-18-15-27-13-12-23-18;/h2-4,6-7,14,18,23H,5,8-13,15H2,1H3,(H,24,25);1H
InChIKeyFTNAPSHZQMJHHS-UHFFFAOYSA-N
MW420.94 g/mol
LogP2.65
Rot. Bonds8

About 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride

4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride (PubChem CID 171711825) has the molecular formula C22H29ClN2O4 and a molecular weight of 420.94 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
PubChem CID171711825
Molecular FormulaC22H29ClN2O4
Molecular Weight420.94 g/mol
Exact Mass420.18
IUPAC Name4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCC1COCCN1.Cl
InChIInChI=1S/C22H28N2O4.ClH/c1-16-14-19(9-5-8-17-6-3-2-4-7-17)28-22(26)20(16)21(25)24-11-10-18-15-27-13-12-23-18;/h2-4,6-7,14,18,23H,5,8-13,15H2,1H3,(H,24,25);1H
InChIKeyFTNAPSHZQMJHHS-UHFFFAOYSA-N
XLogP2.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.94
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-morpholin-2-ylethyl)-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170511858
4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
CID 170512006
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511764
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505311
N-(morpholin-3-ylmethyl)-4-phenylbutanamide
CID 103548407
N-[(3S,4S)-4-methoxy-1-methylpyrrolidin-3-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170510853
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride?
The IUPAC name of 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride (CID 171711825) is 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride?
The canonical SMILES for 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCC1COCCN1.Cl.
What is the InChIKey of 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride?
The InChIKey is FTNAPSHZQMJHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4.ClH/c1-16-14-19(9-5-8-17-6-3-2-4-7-17)28-22(26)20(16)21(25)24-11-10-18-15-27-13-12-23-18;/h2-4,6-7,14,18,23H,5,8-13,15H2,1H3,(H,24,25);1H.
What are the key properties of 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride?
4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride has a molecular weight of 420.94 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride is sourced from PubChem (CID 171711825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).