2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid

C14H11N3O3 — CID 166399673

IUPAC2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1cc2ncccc2o1
InChIInChI=1S/C14H11N3O3/c18-14(19)10-3-1-6-16-13(10)17-8-9-7-11-12(20-9)4-2-5-15-11/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyIVVAJSQVKLBZLL-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds4

About 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid

2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid (PubChem CID 166399673) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid
PubChem CID166399673
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NCc1cc2ncccc2o1
InChIInChI=1S/C14H11N3O3/c18-14(19)10-3-1-6-16-13(10)17-8-9-7-11-12(20-9)4-2-5-15-11/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyIVVAJSQVKLBZLL-UHFFFAOYSA-N
XLogP2.53
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-ethylphenyl)methylamino]pyridine-3-carboxylic acid
CID 106900004
2-[(2,4-difluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 62228145
2-(2-oxopropylamino)pyridine-3-carboxylic acid
CID 89326661
2-[(6-pyridin-2-yl-2-pyridinyl)methylamino]pyridine-3-carboxylic acid
CID 167890213
2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 79351085
2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)pyridine-3-carboxylic acid
CID 69265593
N-(furo[3,2-b]pyridin-2-ylmethyl)-N-methylhydroxylamine
CID 84767584
2-methyl-5-[[(3-methylpyrazin-2-yl)amino]methyl]furan-3-carboxylic acid
CID 83063021
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
furo[3,2-b]pyridin-2-ylmethyl methanesulfonate
CID 57436173
2-(hexylamino)pyridine-3-carboxylic acid
CID 14222051
2-(3-phenylpropylamino)pyridine-3-carboxylic acid
CID 60654935

Frequently Asked Questions

What is the IUPAC name of 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid (CID 166399673) is 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid is O=C(O)c1cccnc1NCc1cc2ncccc2o1.
What is the InChIKey of 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid?
The InChIKey is IVVAJSQVKLBZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)10-3-1-6-16-13(10)17-8-9-7-11-12(20-9)4-2-5-15-11/h1-7H,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid?
2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furo[3,2-b]pyridin-2-ylmethylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 166399673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).