4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

C12H20N4O2 — CID 61213779

IUPAC4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2nccn2C)C1
InChIInChI=1S/C12H20N4O2/c1-15-5-4-13-11(15)8-16(2)12(17)10-6-9(18-3)7-14-10/h4-5,9-10,14H,6-8H2,1-3H3
InChIKeyTULAXTFQZDPSGO-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.24
Rot. Bonds4

About 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide

4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 61213779) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID61213779
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCOC1CNC(C(=O)N(C)Cc2nccn2C)C1
InChIInChI=1S/C12H20N4O2/c1-15-5-4-13-11(15)8-16(2)12(17)10-6-9(18-3)7-14-10/h4-5,9-10,14H,6-8H2,1-3H3
InChIKeyTULAXTFQZDPSGO-UHFFFAOYSA-N
XLogP-0.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-5-oxoprolinamide
CID 653923
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CID 137660700
(2S,4R)-N-cyclohexyl-4-hydroxy-1-[1-(1-methylimidazole-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110197323
2-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]-N-(oxolan-2-ylmethyl)propanamide
CID 56790927
3-[{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)amino]-N-methylbutanamide
CID 77085447
N-(1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidin-3-yl)acetamide
CID 77086954
1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}-N-methylpiperidine-2-carboxamide
CID 77095774
N-[[(2R)-oxolan-2-yl]methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 97345872
N-[(2S)-1-imidazol-1-ylbutan-2-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 100033319
(2R)-N~1~-[(1-isopropyl-1H-imidazol-2-yl)methyl]pyrrolidine-1,2-dicarboxamide
CID 122571974
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178027
[(3S)-1-(1-propan-2-ylimidazole-2-carbonyl)pyrrolidin-3-yl] N,N-dimethylcarbamate
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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide (CID 61213779) is 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is COC1CNC(C(=O)N(C)Cc2nccn2C)C1.
What is the InChIKey of 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is TULAXTFQZDPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-15-5-4-13-11(15)8-16(2)12(17)10-6-9(18-3)7-14-10/h4-5,9-10,14H,6-8H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide?
4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 252.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 61213779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).