2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

C12H20N4O — CID 79388870

IUPAC2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCCc1nccn1C
InChIInChI=1S/C12H20N4O/c1-9-10(3-5-13-9)12(17)15-6-4-11-14-7-8-16(11)2/h7-10,13H,3-6H2,1-2H3,(H,15,17)
InChIKeyMRVLKTBSRNZRNR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.08
Rot. Bonds4

About 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide

2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 79388870) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID79388870
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCC1NCCC1C(=O)NCCc1nccn1C
InChIInChI=1S/C12H20N4O/c1-9-10(3-5-13-9)12(17)15-6-4-11-14-7-8-16(11)2/h7-10,13H,3-6H2,1-2H3,(H,15,17)
InChIKeyMRVLKTBSRNZRNR-UHFFFAOYSA-N
XLogP0.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 63007268
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
3-cyclopropyl-3-[2-(1-methylimidazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 82003366
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
1-cyclopentyl-3-[2-(1-methylimidazol-2-yl)ethyl]thiourea
CID 116508143
(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 63293809
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 102953575
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 79388870) is 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is CC1NCCC1C(=O)NCCc1nccn1C.
What is the InChIKey of 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is MRVLKTBSRNZRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-10(3-5-13-9)12(17)15-6-4-11-14-7-8-16(11)2/h7-10,13H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 79388870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).