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

C11H18N4O — CID 63007268

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCn1ccnc1CCNC(=O)C1CCNC1
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(15)3-5-14-11(16)9-2-4-12-8-9/h6-7,9,12H,2-5,8H2,1H3,(H,14,16)
InChIKeyZAWPZYKFYHQHBD-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.31
Rot. Bonds4

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

N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 63007268) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID63007268
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCn1ccnc1CCNC(=O)C1CCNC1
InChIInChI=1S/C11H18N4O/c1-15-7-6-13-10(15)3-5-14-11(16)9-2-4-12-8-9/h6-7,9,12H,2-5,8H2,1H3,(H,14,16)
InChIKeyZAWPZYKFYHQHBD-UHFFFAOYSA-N
XLogP-0.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869315
2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 79388870
N-[2-(1-methylimidazol-2-yl)ethyl]-2-morpholin-2-ylacetamide
CID 66427665
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91834859
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
(2S)-N-[2-(1-methylimidazol-2-yl)ethyl]-1-propan-2-ylpiperidine-2-carboxamide
CID 97216449
1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116583786
2-(1-methylimidazol-2-yl)-1-piperidin-3-ylethanone
CID 116548056
2-amino-2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 61212990
2-cyclopropyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 86791142
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide (CID 63007268) is N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is Cn1ccnc1CCNC(=O)C1CCNC1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is ZAWPZYKFYHQHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-7-6-13-10(15)3-5-14-11(16)9-2-4-12-8-9/h6-7,9,12H,2-5,8H2,1H3,(H,14,16).
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide?
N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63007268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).