2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one

C15H13N3O2 — CID 143220025

IUPAC2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one
SMILESNCc1cc(-c2cc(=O)c3cccnc3o2)ccc1N
InChIInChI=1S/C15H13N3O2/c16-8-10-6-9(3-4-12(10)17)14-7-13(19)11-2-1-5-18-15(11)20-14/h1-7H,8,16-17H2
InChIKeyOLTMJWXLTKQVOJ-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.90
Rot. Bonds2

About 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one

2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one (PubChem CID 143220025) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one
PubChem CID143220025
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one
SMILESNCc1cc(-c2cc(=O)c3cccnc3o2)ccc1N
InChIInChI=1S/C15H13N3O2/c16-8-10-6-9(3-4-12(10)17)14-7-13(19)11-2-1-5-18-15(11)20-14/h1-7H,8,16-17H2
InChIKeyOLTMJWXLTKQVOJ-UHFFFAOYSA-N
XLogP1.90
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one?
The IUPAC name of 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one (CID 143220025) is 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one is NCc1cc(-c2cc(=O)c3cccnc3o2)ccc1N.
What is the InChIKey of 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one?
The InChIKey is OLTMJWXLTKQVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-8-10-6-9(3-4-12(10)17)14-7-13(19)11-2-1-5-18-15(11)20-14/h1-7H,8,16-17H2.
What are the key properties of 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one?
2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one has a molecular weight of 267.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(aminomethyl)phenyl]pyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 143220025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).