2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide

C17H22N4O3 — CID 128984667

IUPAC2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c(C)o1
InChIInChI=1S/C17H22N4O3/c1-10-7-13(11(2)24-10)17(23)19-9-12-8-14(22)21(4)15(12)16-18-5-6-20(16)3/h5-7,12,15H,8-9H2,1-4H3,(H,19,23)/t12-,15+/m0/s1
InChIKeyOQIMYEBNGVYLPX-SWLSCSKDSA-N
MW330.39 g/mol
LogP1.58
Rot. Bonds4

About 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide

2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide (PubChem CID 128984667) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide
PubChem CID128984667
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c(C)o1
InChIInChI=1S/C17H22N4O3/c1-10-7-13(11(2)24-10)17(23)19-9-12-8-14(22)21(4)15(12)16-18-5-6-20(16)3/h5-7,12,15H,8-9H2,1-4H3,(H,19,23)/t12-,15+/m0/s1
InChIKeyOQIMYEBNGVYLPX-SWLSCSKDSA-N
XLogP1.58
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-[[(2S,3R)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]propanamide
CID 154773468
N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
CID 154799304
(2,5-dimethylfuran-3-yl)-[(3S)-4-methyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 129478549
2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 154796001
2,5-dimethyl-N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]furan-3-carboxamide
CID 55893760
(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015692
(4S,5R)-4-[[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]methyl]-1-methyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 167982267
1-(2,5-dimethylfuran-3-yl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811905
(4S,5R)-4-[[(4-fluoro-1-methylbenzimidazol-2-yl)amino]methyl]-1-methyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 167791531
N-[(4-aminocyclohexyl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 106124578
2,5-dimethyl-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]furan-3-carboxamide
CID 126930983
2,5-dimethyl-N-(3-methylbutyl)furan-3-carboxamide
CID 35523982

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide (CID 128984667) is 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide is Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C)[C@H]2c2nccn2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide?
The InChIKey is OQIMYEBNGVYLPX-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10-7-13(11(2)24-10)17(23)19-9-12-8-14(22)21(4)15(12)16-18-5-6-20(16)3/h5-7,12,15H,8-9H2,1-4H3,(H,19,23)/t12-,15+/m0/s1.
What are the key properties of 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide?
2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 128984667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).