N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide

C10H16N4O — CID 130921417

IUPACN-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
SMILESCCN1CCC(NC(=O)n2ccnc2)C1
InChIInChI=1S/C10H16N4O/c1-2-13-5-3-9(7-13)12-10(15)14-6-4-11-8-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyIKGPVLCXXFANDL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.54
Rot. Bonds2

About N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide

N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide (PubChem CID 130921417) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
PubChem CID130921417
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide
SMILESCCN1CCC(NC(=O)n2ccnc2)C1
InChIInChI=1S/C10H16N4O/c1-2-13-5-3-9(7-13)12-10(15)14-6-4-11-8-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,15)
InChIKeyIKGPVLCXXFANDL-UHFFFAOYSA-N
XLogP0.54
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-butylpiperidin-4-yl)imidazole-1-carboxamide
CID 81257900
N-[1-(2-methoxyacetyl)piperidin-4-yl]imidazole-1-carboxamide
CID 81257423
N-(3,3-dimethylcyclobutyl)imidazole-1-carboxamide
CID 131092030
N-(3-bicyclo[3.1.0]hexanyl)imidazole-1-carboxamide
CID 130898986
N-(1-ethylpyrrolidin-3-yl)prop-2-enamide
CID 130959352
methyl N-(1-ethylpyrrolidin-3-yl)carbamate
CID 67579436
(2S)-2-amino-N-(1-ethylpyrrolidin-3-yl)propanamide
CID 130979651
N-(2-methylcyclohexyl)imidazole-1-carboxamide
CID 43145409
N-[(1-methylpyrrolidin-3-yl)methyl]imidazole-1-carboxamide
CID 60855295
N-(4-phenylcyclohexyl)imidazole-1-carboxamide
CID 81257713
N-[(2S)-butan-2-yl]imidazole-1-carboxamide
CID 39871202
N-[(1R,2S)-2-methoxy-2-methylcyclopropyl]imidazole-1-carboxamide
CID 164659037

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide?
The IUPAC name of N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide (CID 130921417) is N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide.
What is the SMILES notation for N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide?
The canonical SMILES for N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide is CCN1CCC(NC(=O)n2ccnc2)C1.
What is the InChIKey of N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide?
The InChIKey is IKGPVLCXXFANDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-13-5-3-9(7-13)12-10(15)14-6-4-11-8-14/h4,6,8-9H,2-3,5,7H2,1H3,(H,12,15).
What are the key properties of N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide?
N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrrolidin-3-yl)imidazole-1-carboxamide is sourced from PubChem (CID 130921417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).