4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide

C20H22N4O3 — CID 170512006

IUPAC4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCn1ccnn1
InChIInChI=1S/C20H22N4O3/c1-15-14-17(9-5-8-16-6-3-2-4-7-16)27-20(26)18(15)19(25)21-10-12-24-13-11-22-23-24/h2-4,6-7,11,13-14H,5,8-10,12H2,1H3,(H,21,25)
InChIKeyQZLJVDRTMFZQGZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.15
Rot. Bonds8

About 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide

4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide (PubChem CID 170512006) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
PubChem CID170512006
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
SMILESCc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCn1ccnn1
InChIInChI=1S/C20H22N4O3/c1-15-14-17(9-5-8-16-6-3-2-4-7-16)27-20(26)18(15)19(25)21-10-12-24-13-11-22-23-24/h2-4,6-7,11,13-14H,5,8-10,12H2,1H3,(H,21,25)
InChIKeyQZLJVDRTMFZQGZ-UHFFFAOYSA-N
XLogP2.15
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-(2-methylpropanoylamino)ethyl]-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170502781
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514
N-cyclopropyl-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 169412250
4-methyl-N-(1,2-oxazol-3-ylmethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170511383
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-[2-(2-oxoimidazolidin-1-yl)ethyl]-6-(2-phenylethyl)pyran-3-carboxamide
CID 170505466
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170505311
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carboxamide
CID 170512129
4-methyl-N-(2-morpholin-3-ylethyl)-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide;hydrochloride
CID 171711825
6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170509972
N-[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]-4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carboxamide
CID 170508998
4-methyl-6-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)pyran-2-one
CID 170512947

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide (CID 170512006) is 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide is Cc1cc(CCCc2ccccc2)oc(=O)c1C(=O)NCCn1ccnn1.
What is the InChIKey of 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide?
The InChIKey is QZLJVDRTMFZQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15-14-17(9-5-8-16-6-3-2-4-7-16)27-20(26)18(15)19(25)21-10-12-24-13-11-22-23-24/h2-4,6-7,11,13-14H,5,8-10,12H2,1H3,(H,21,25).
What are the key properties of 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide?
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide is sourced from PubChem (CID 170512006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).