N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide

C11H18N4O — CID 107973687

IUPACN,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1cn(C)cn1
InChIInChI=1S/C11H18N4O/c1-14-7-10(13-8-14)11(16)15(2)6-9-4-3-5-12-9/h7-9,12H,3-6H2,1-2H3
InChIKeySEAZBAJSMFNNSH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.24
Rot. Bonds3

About N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide

N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 107973687) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
PubChem CID107973687
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1cn(C)cn1
InChIInChI=1S/C11H18N4O/c1-14-7-10(13-8-14)11(16)15(2)6-9-4-3-5-12-9/h7-9,12H,3-6H2,1-2H3
InChIKeySEAZBAJSMFNNSH-UHFFFAOYSA-N
XLogP0.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 97164269
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
N-(azepan-4-yl)-N,1-dimethylimidazole-4-carboxamide
CID 114022842
N-methyl-N-(pyrrolidin-2-ylmethyl)-1H-imidazole-5-carboxamide
CID 106607277
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)furan-3-carboxamide
CID 106607527
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)imidazole-4-sulfonamide
CID 106607634
3,4,5-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607828
2,4,6-trifluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607688

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide (CID 107973687) is N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide is CN(CC1CCCN1)C(=O)c1cn(C)cn1.
What is the InChIKey of N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is SEAZBAJSMFNNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-7-10(13-8-14)11(16)15(2)6-9-4-3-5-12-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide?
N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(pyrrolidin-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107973687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).