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

C17H22N4O4 — CID 170513085

IUPAC4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCCCn1ccnn1
InChIInChI=1S/C17H22N4O4/c1-12-11-14(13-3-9-24-10-4-13)25-17(23)15(12)16(22)18-5-2-7-21-8-6-19-20-21/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,18,22)
InChIKeyHMUFWCBKMSARNB-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.25
Rot. Bonds6

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

4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide (PubChem CID 170513085) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
PubChem CID170513085
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCCCn1ccnn1
InChIInChI=1S/C17H22N4O4/c1-12-11-14(13-3-9-24-10-4-13)25-17(23)15(12)16(22)18-5-2-7-21-8-6-19-20-21/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,18,22)
InChIKeyHMUFWCBKMSARNB-UHFFFAOYSA-N
XLogP1.25
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170509972
4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109
6-cyclobutyl-4-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyran-3-carboxamide
CID 170510918
6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
CID 170502685
4-methyl-N-[3-(4-methylpyrazol-1-yl)propyl]-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;dihydrochloride
CID 171710778
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[2-(triazol-1-yl)ethyl]pyran-3-carboxamide
CID 170512006
4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
2-methyl-N-[3-(triazol-1-yl)propyl]-5-(trifluoromethyl)benzamide
CID 91775896
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170507041

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide (CID 170513085) is 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NCCCn1ccnn1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide?
The InChIKey is HMUFWCBKMSARNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-12-11-14(13-3-9-24-10-4-13)25-17(23)15(12)16(22)18-5-2-7-21-8-6-19-20-21/h6,8,11,13H,2-5,7,9-10H2,1H3,(H,18,22).
What are the key properties of 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide?
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide is sourced from PubChem (CID 170513085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).