4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid

C12H12N2O3 — CID 62523902

IUPAC4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(CNc2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C12H12N2O3/c1-8-2-3-10(17-8)7-14-9-4-5-13-11(6-9)12(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyWZFNXZTZJANKQE-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.29
Rot. Bonds4

About 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid

4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid (PubChem CID 62523902) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
PubChem CID62523902
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(CNc2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C12H12N2O3/c1-8-2-3-10(17-8)7-14-9-4-5-13-11(6-9)12(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16)
InChIKeyWZFNXZTZJANKQE-UHFFFAOYSA-N
XLogP2.29
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxamide
CID 55081264
4-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62524791
4-[(3-methylphenyl)methylamino]pyridine-2-carboxylic acid
CID 54944792
4-[1-(5-methylfuran-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 61477977
4-[(3-methyl-2-propan-2-ylbutyl)amino]pyridine-2-carboxylic acid
CID 102906568
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyridine-2-carboxylic acid
CID 79241762
4-chloro-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 55081452
2-methyl-4-N-[(5-methylfuran-2-yl)methyl]benzene-1,4-diamine
CID 62523846
4-[(3-chlorophenyl)methylamino]pyridine-2-carboxylic acid
CID 62533427
5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62524581
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid (CID 62523902) is 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid is Cc1ccc(CNc2ccnc(C(=O)O)c2)o1.
What is the InChIKey of 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is WZFNXZTZJANKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-2-3-10(17-8)7-14-9-4-5-13-11(6-9)12(15)16/h2-6H,7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid?
4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methylfuran-2-yl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62523902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).