N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide

C12H20N4O — CID 63716496

IUPACN,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C12H20N4O/c1-9-6-13-7-10(9)12(17)16(3)8-11-14-4-5-15(11)2/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyRUOTUSKSKHOCMC-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.23
Rot. Bonds3

About N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide

N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 63716496) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID63716496
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C12H20N4O/c1-9-6-13-7-10(9)12(17)16(3)8-11-14-4-5-15(11)2/h4-5,9-10,13H,6-8H2,1-3H3
InChIKeyRUOTUSKSKHOCMC-UHFFFAOYSA-N
XLogP0.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 63021596
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CID 54873646
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 81458667
4-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722011
N,4-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63716443
4-(1,3-dithiolan-2-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 86908152
1-(azetidin-3-yl)-2-(1-methylimidazol-2-yl)ethanone
CID 116583786
5-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]thiophene-2-carboxylic acid
CID 60721954
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 116676486
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide (CID 63716496) is N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide is CC1CNCC1C(=O)N(C)Cc1nccn1C.
What is the InChIKey of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is RUOTUSKSKHOCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-6-13-7-10(9)12(17)16(3)8-11-14-4-5-15(11)2/h4-5,9-10,13H,6-8H2,1-3H3.
What are the key properties of N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide?
N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 63716496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).