5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid

C13H18N2O4 — CID 113432329

IUPAC5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C13H18N2O4/c1-14-4-3-9(6-14)7-15(2)12(16)11-5-10(8-19-11)13(17)18/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyWTIHPLGSFIRSBP-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.00
Rot. Bonds4

About 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid

5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid (PubChem CID 113432329) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid
PubChem CID113432329
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid
SMILESCN1CCC(CN(C)C(=O)c2cc(C(=O)O)co2)C1
InChIInChI=1S/C13H18N2O4/c1-14-4-3-9(6-14)7-15(2)12(16)11-5-10(8-19-11)13(17)18/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyWTIHPLGSFIRSBP-UHFFFAOYSA-N
XLogP1.00
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
5-bromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]furan-2-carboxamide
CID 55172976
4-(chloromethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63275957
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103765252
3-hydroxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 55170280
4-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]benzoic acid
CID 63274047
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-3-sulfanylbenzamide
CID 107029608
4,5-dibromo-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 78942000
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]pyridine-2-carboxylic acid
CID 63274999
2-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-4-carboxamide
CID 115115910
4-(ethylamino)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63274929
4-bromo-3-chloro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 81005125

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid?
The IUPAC name of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid (CID 113432329) is 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid is CN1CCC(CN(C)C(=O)c2cc(C(=O)O)co2)C1.
What is the InChIKey of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid?
The InChIKey is WTIHPLGSFIRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14-4-3-9(6-14)7-15(2)12(16)11-5-10(8-19-11)13(17)18/h5,8-9H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid?
5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 113432329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).