4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide

C22H23N3O4 — CID 170511216

IUPAC4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCOC2)oc(=O)c1C(=O)Nc1ccccc1Cn1ccnc1C
InChIInChI=1S/C22H23N3O4/c1-14-11-19(17-7-10-28-13-17)29-22(27)20(14)21(26)24-18-6-4-3-5-16(18)12-25-9-8-23-15(25)2/h3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H,24,26)
InChIKeyLODOUAIPOALYDW-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.26
Rot. Bonds5

About 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide

4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide (PubChem CID 170511216) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
PubChem CID170511216
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCOC2)oc(=O)c1C(=O)Nc1ccccc1Cn1ccnc1C
InChIInChI=1S/C22H23N3O4/c1-14-11-19(17-7-10-28-13-17)29-22(27)20(14)21(26)24-18-6-4-3-5-16(18)12-25-9-8-23-15(25)2/h3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H,24,26)
InChIKeyLODOUAIPOALYDW-UHFFFAOYSA-N
XLogP3.26
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)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

4-methyl-N-(2-methylquinolin-5-yl)-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170510231
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-morpholin-3-ylacetamide
CID 56909174
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
CID 170504638
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]piperidine-2-carboxamide
CID 131930636
(2S)-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]morpholine-2-carboxamide
CID 95896960
4-methyl-2-oxo-6-(oxolan-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyran-3-carboxamide
CID 170504390
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 131932897
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-4-pyrazol-1-ylbenzamide
CID 131899424
2-amino-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 154912858
N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-3-propan-2-yloxybenzamide
CID 131905021
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The IUPAC name of 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide (CID 170511216) is 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The canonical SMILES for 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide is Cc1cc(C2CCOC2)oc(=O)c1C(=O)Nc1ccccc1Cn1ccnc1C.
What is the InChIKey of 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The InChIKey is LODOUAIPOALYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-11-19(17-7-10-28-13-17)29-22(27)20(14)21(26)24-18-6-4-3-5-16(18)12-25-9-8-23-15(25)2/h3-6,8-9,11,17H,7,10,12-13H2,1-2H3,(H,24,26).
What are the key properties of 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(2-methylimidazol-1-yl)methyl]phenyl]-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide is sourced from PubChem (CID 170511216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).