2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid

C14H11N3O3 — CID 106534944

IUPAC2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNc2nccc3occc23)c1
InChIInChI=1S/C14H11N3O3/c18-14(19)9-1-4-15-10(7-9)8-17-13-11-3-6-20-12(11)2-5-16-13/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyXETFGVKVZRYBBG-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.53
Rot. Bonds4

About 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid

2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid (PubChem CID 106534944) has the molecular formula C14H11N3O3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid
PubChem CID106534944
Molecular FormulaC14H11N3O3
Molecular Weight269.26 g/mol
Exact Mass269.08
IUPAC Name2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNc2nccc3occc23)c1
InChIInChI=1S/C14H11N3O3/c18-14(19)9-1-4-15-10(7-9)8-17-13-11-3-6-20-12(11)2-5-16-13/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyXETFGVKVZRYBBG-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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Frequently Asked Questions

What is the IUPAC name of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid (CID 106534944) is 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNc2nccc3occc23)c1.
What is the InChIKey of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid?
The InChIKey is XETFGVKVZRYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O3/c18-14(19)9-1-4-15-10(7-9)8-17-13-11-3-6-20-12(11)2-5-16-13/h1-7H,8H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid?
2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-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-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 106534944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).