5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid

C14H16N2O3 — CID 79084352

IUPAC5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(C)Cc1ccccn1
InChIInChI=1S/C14H16N2O3/c1-10(12-6-7-13(19-12)14(17)18)16(2)9-11-5-3-4-8-15-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyAWFNYUQOPCDGGA-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.57
Rot. Bonds5

About 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid

5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid (PubChem CID 79084352) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid
PubChem CID79084352
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid
SMILESCC(c1ccc(C(=O)O)o1)N(C)Cc1ccccn1
InChIInChI=1S/C14H16N2O3/c1-10(12-6-7-13(19-12)14(17)18)16(2)9-11-5-3-4-8-15-11/h3-8,10H,9H2,1-2H3,(H,17,18)
InChIKeyAWFNYUQOPCDGGA-UHFFFAOYSA-N
XLogP2.57
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-[methyl(thiophen-3-ylmethyl)amino]ethyl]furan-2-carboxylic acid
CID 79084704
5-[1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethyl]furan-2-carboxylic acid
CID 79084792
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
2-[bis(pyridin-2-ylmethyl)amino]propanoic acid;manganese(2+);hydrochloride
CID 25264863
5-[methyl(2-pyridin-2-ylethyl)sulfamoyl]furan-2-carboxylic acid
CID 29077623
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
(2S)-2-[bis(pyridin-2-ylmethyl)amino]-N,N-bis(pyridin-2-ylmethyl)propanamide
CID 102088447
3-methyl-1-[methyl(pyridin-2-ylmethyl)amino]butan-2-one
CID 79396474
5-[bis(pyridin-2-ylmethyl)amino]hexanoic acid
CID 141092997
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365

Frequently Asked Questions

What is the IUPAC name of 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid (CID 79084352) is 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid is CC(c1ccc(C(=O)O)o1)N(C)Cc1ccccn1.
What is the InChIKey of 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
The InChIKey is AWFNYUQOPCDGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10(12-6-7-13(19-12)14(17)18)16(2)9-11-5-3-4-8-15-11/h3-8,10H,9H2,1-2H3,(H,17,18).
What are the key properties of 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid?
5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[methyl(pyridin-2-ylmethyl)amino]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 79084352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).