N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide

C17H22N6O2 — CID 154799304

IUPACN-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
SMILESCCN1C(=O)C[C@@H](CNC(=O)c2nccc(C)n2)[C@@H]1c1nccn1C
InChIInChI=1S/C17H22N6O2/c1-4-23-13(24)9-12(14(23)16-19-7-8-22(16)3)10-20-17(25)15-18-6-5-11(2)21-15/h5-8,12,14H,4,9-10H2,1-3H3,(H,20,25)/t12-,14+/m0/s1
InChIKeyLBKCOEPINWPDFW-GXTWGEPZSA-N
MW342.40 g/mol
LogP0.86
Rot. Bonds5

About N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide

N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide (PubChem CID 154799304) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
PubChem CID154799304
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide
SMILESCCN1C(=O)C[C@@H](CNC(=O)c2nccc(C)n2)[C@@H]1c1nccn1C
InChIInChI=1S/C17H22N6O2/c1-4-23-13(24)9-12(14(23)16-19-7-8-22(16)3)10-20-17(25)15-18-6-5-11(2)21-15/h5-8,12,14H,4,9-10H2,1-3H3,(H,20,25)/t12-,14+/m0/s1
InChIKeyLBKCOEPINWPDFW-GXTWGEPZSA-N
XLogP0.86
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]acetamide
CID 154796001
(4S,5R)-1-ethyl-4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 154756662
1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 122359916
2,5-dimethyl-N-[[(2R,3S)-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]furan-3-carboxamide
CID 128984667
4-methyl-N-[(2S,3S)-2-(1-methylimidazol-2-yl)oxolan-3-yl]pyrimidine-2-carboxamide
CID 154738095
(2S,3R)-N-(3-chloro-2-methyl-4-pyridinyl)-4-ethyl-3-(1-methylimidazol-2-yl)-5-oxomorpholine-2-carboxamide
CID 167766651
(4S,5S)-4-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1-ethyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 138015699
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
(4S,5R)-4-[[(4-fluoro-1-methylbenzimidazol-2-yl)amino]methyl]-1-methyl-5-(1-methylimidazol-2-yl)pyrrolidin-2-one
CID 167791531
(2S,3S)-1-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-5-oxo-N-[(1-pyridin-2-ylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 138012998
(2S,3S)-1-ethyl-2-(1-ethylimidazol-2-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138012870
(2S,3S)-N-[(5-chlorofuran-2-yl)methyl]-1-methyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 138015692

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide?
The IUPAC name of N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide (CID 154799304) is N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide?
The canonical SMILES for N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide is CCN1C(=O)C[C@@H](CNC(=O)c2nccc(C)n2)[C@@H]1c1nccn1C.
What is the InChIKey of N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide?
The InChIKey is LBKCOEPINWPDFW-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-4-23-13(24)9-12(14(23)16-19-7-8-22(16)3)10-20-17(25)15-18-6-5-11(2)21-15/h5-8,12,14H,4,9-10H2,1-3H3,(H,20,25)/t12-,14+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide?
N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-ethyl-2-(1-methylimidazol-2-yl)-5-oxopyrrolidin-3-yl]methyl]-4-methylpyrimidine-2-carboxamide is sourced from PubChem (CID 154799304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).