N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide

C10H16N4O — CID 106607277

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1cnc[nH]1
InChIInChI=1S/C10H16N4O/c1-14(6-8-3-2-4-12-8)10(15)9-5-11-7-13-9/h5,7-8,12H,2-4,6H2,1H3,(H,11,13)
InChIKeyKMBNBALDYNHSKN-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.23
Rot. Bonds3

About N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide

N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide (PubChem CID 106607277) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
PubChem CID106607277
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1cnc[nH]1
InChIInChI=1S/C10H16N4O/c1-14(6-8-3-2-4-12-8)10(15)9-5-11-7-13-9/h5,7-8,12H,2-4,6H2,1H3,(H,11,13)
InChIKeyKMBNBALDYNHSKN-UHFFFAOYSA-N
XLogP0.23
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 97164269
N-[2-[(2S)-pyrrolidin-2-yl]ethyl]-1H-imidazole-5-carboxamide
CID 104972137
N,4-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 106607279
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 106607470
3,5-dichloro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607655
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
CID 107973687
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 106627561

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide (CID 106607277) is N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide is CN(CC1CCCN1)C(=O)c1cnc[nH]1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide?
The InChIKey is KMBNBALDYNHSKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14(6-8-3-2-4-12-8)10(15)9-5-11-7-13-9/h5,7-8,12H,2-4,6H2,1H3,(H,11,13).
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide?
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide is sourced from PubChem (CID 106607277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).