4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

C20H22N4O3 — CID 169411131

IUPAC4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)n[nH]1
InChIInChI=1S/C20H22N4O3/c1-12-11-16(10-9-15-7-5-4-6-8-15)27-20(26)17(12)19(25)21-13(2)18-22-14(3)23-24-18/h4-8,11,13H,9-10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyIIVRMSHLQGUWRV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.65
Rot. Bonds6

About 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide

4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (PubChem CID 169411131) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
PubChem CID169411131
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
SMILESCc1nc(C(C)NC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)n[nH]1
InChIInChI=1S/C20H22N4O3/c1-12-11-16(10-9-15-7-5-4-6-8-15)27-20(26)17(12)19(25)21-13(2)18-22-14(3)23-24-18/h4-8,11,13H,9-10H2,1-3H3,(H,21,25)(H,22,23,24)
InChIKeyIIVRMSHLQGUWRV-UHFFFAOYSA-N
XLogP2.65
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide with MolForge

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Related Compounds

N-(6-hydroxy-6-methylheptan-2-yl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 169414908
N-[(2R)-2-(dimethylamino)propyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170509345
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-6-(3-methylbutyl)-2-oxopyran-3-carboxamide
CID 169411291
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505311
4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
N-(6-acetamido-3-pyridinyl)-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505852
3-(3-hydroxy-3-methylbutyl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]benzamide
CID 70740347
4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
N,4-dimethyl-2-oxo-6-(2-phenylethyl)-N-(1-pyridin-4-ylethyl)pyran-3-carboxamide
CID 170505081

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide (CID 169411131) is 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is Cc1nc(C(C)NC(=O)c2c(C)cc(CCc3ccccc3)oc2=O)n[nH]1.
What is the InChIKey of 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
The InChIKey is IIVRMSHLQGUWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-11-16(10-9-15-7-5-4-6-8-15)27-20(26)17(12)19(25)21-13(2)18-22-14(3)23-24-18/h4-8,11,13H,9-10H2,1-3H3,(H,21,25)(H,22,23,24).
What are the key properties of 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide?
4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide is sourced from PubChem (CID 169411131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).