N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide

C10H16N4O — CID 64530559

IUPACN-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ncc[nH]2)CCCN1
InChIInChI=1S/C10H16N4O/c1-10(3-2-4-14-10)9(15)13-7-8-11-5-6-12-8/h5-6,14H,2-4,7H2,1H3,(H,11,12)(H,13,15)
InChIKeyFNRNKCAPFFKBOE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.17
Rot. Bonds3

About N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide

N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide (PubChem CID 64530559) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
PubChem CID64530559
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide
SMILESCC1(C(=O)NCc2ncc[nH]2)CCCN1
InChIInChI=1S/C10H16N4O/c1-10(3-2-4-14-10)9(15)13-7-8-11-5-6-12-8/h5-6,14H,2-4,7H2,1H3,(H,11,12)(H,13,15)
InChIKeyFNRNKCAPFFKBOE-UHFFFAOYSA-N
XLogP0.17
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-N,2-dimethylpiperidine-2-carboxamide
CID 113430849
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
1-carbamothioyl-N-(1H-imidazol-2-ylmethyl)cyclopropane-1-carboxamide
CID 80591308
N-(1H-imidazol-5-ylmethyl)-2-methylpiperidine-2-carboxamide
CID 104596933
1-[(E)-N'-hydroxycarbamimidoyl]-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 80593904
N-(1H-imidazol-2-ylmethyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65241416
1-(4-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)cyclobutane-1-carboxamide
CID 77091794
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclopropane-1-carboxamide
CID 130622379
2-methyl-N-[(1-methylpyrrol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 103950434
2-methyl-N-(1H-pyrazol-4-ylmethyl)piperidine-2-carboxamide
CID 104596520
N-(3-hydroxy-2-methylpropyl)-2-methylpyrrolidine-2-carboxamide
CID 65036100

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide (CID 64530559) is N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide is CC1(C(=O)NCc2ncc[nH]2)CCCN1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide?
The InChIKey is FNRNKCAPFFKBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-10(3-2-4-14-10)9(15)13-7-8-11-5-6-12-8/h5-6,14H,2-4,7H2,1H3,(H,11,12)(H,13,15).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide?
N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 64530559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).