N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C14H24N4O — CID 106980175

IUPACN-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)Cc2nccn2C)CCNC1
InChIInChI=1S/C14H24N4O/c1-11(2)14(5-6-15-10-14)13(19)18(4)9-12-16-7-8-17(12)3/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyVSDPMBDJOVUDML-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.01
Rot. Bonds4

About N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106980175) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106980175
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)N(C)Cc2nccn2C)CCNC1
InChIInChI=1S/C14H24N4O/c1-11(2)14(5-6-15-10-14)13(19)18(4)9-12-16-7-8-17(12)3/h7-8,11,15H,5-6,9-10H2,1-4H3
InChIKeyVSDPMBDJOVUDML-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980151
N-methyl-3-propan-2-yl-N-(1H-pyrazol-4-ylmethyl)pyrrolidine-3-carboxamide
CID 106980739
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
N-methyl-N-(2-methylpropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979682
N-methyl-3-propan-2-yl-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 106979980
N-[(3,4-difluorophenyl)methyl]-N-methyl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980069
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 76985325
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 80593803
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxane-4-carboxamide
CID 63013244
N-methyl-N-(2-phenoxyethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980020

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106980175) is N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)N(C)Cc2nccn2C)CCNC1.
What is the InChIKey of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is VSDPMBDJOVUDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-11(2)14(5-6-15-10-14)13(19)18(4)9-12-16-7-8-17(12)3/h7-8,11,15H,5-6,9-10H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106980175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).