5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid

C11H11N3O3 — CID 82475430

IUPAC5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESNc1cnc(NCc2ccco2)c(C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c12-7-4-9(11(15)16)10(13-5-7)14-6-8-2-1-3-17-8/h1-5H,6,12H2,(H,13,14)(H,15,16)
InChIKeyYGRGAZJSBPLOGS-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.57
Rot. Bonds4

About 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid

5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 82475430) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID82475430
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESNc1cnc(NCc2ccco2)c(C(=O)O)c1
InChIInChI=1S/C11H11N3O3/c12-7-4-9(11(15)16)10(13-5-7)14-6-8-2-1-3-17-8/h1-5H,6,12H2,(H,13,14)(H,15,16)
InChIKeyYGRGAZJSBPLOGS-UHFFFAOYSA-N
XLogP1.57
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(benzylamino)pyridine-3-carboxylic acid
CID 82477976
4-tert-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxylic acid
CID 91915936
6-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-4,5,6-triamine
CID 19146076
2-bromo-4-(furan-2-ylmethylamino)benzoic acid
CID 107281668
5-amino-2-[2-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carboxylic acid
CID 106039624
5-(furan-2-ylmethylamino)pyrimidine-4-carboxylic acid
CID 131974169
disodium;2-(furan-2-ylmethylamino)-4-oxidopyrimidine-5-carboxylate
CID 140677688
5-bromo-2-[(5-methylfuran-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62524581
1-[3-[[5-amino-6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547437
2,3-difluoro-4-(furan-2-ylmethylamino)benzoic acid
CID 79837782
5-bromo-3-chloro-N-(furan-2-ylmethyl)pyridin-2-amine
CID 82489662
5-bromo-2-(furan-2-ylmethylamino)pyridine-3-carbonitrile
CID 82341774

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid (CID 82475430) is 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid is Nc1cnc(NCc2ccco2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is YGRGAZJSBPLOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-7-4-9(11(15)16)10(13-5-7)14-6-8-2-1-3-17-8/h1-5H,6,12H2,(H,13,14)(H,15,16).
What are the key properties of 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid?
5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(furan-2-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82475430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).