2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide

C12H13N3O3 — CID 142922482

IUPAC2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide
SMILESCNc1c(C=O)oc2cc(C(=O)N(C)C)cnc12
InChIInChI=1S/C12H13N3O3/c1-13-10-9(6-16)18-8-4-7(5-14-11(8)10)12(17)15(2)3/h4-6,13H,1-3H3
InChIKeyYXNFSYIKZRLGOL-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.38
Rot. Bonds3

About 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide

2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide (PubChem CID 142922482) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide
PubChem CID142922482
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide
SMILESCNc1c(C=O)oc2cc(C(=O)N(C)C)cnc12
InChIInChI=1S/C12H13N3O3/c1-13-10-9(6-16)18-8-4-7(5-14-11(8)10)12(17)15(2)3/h4-6,13H,1-3H3
InChIKeyYXNFSYIKZRLGOL-UHFFFAOYSA-N
XLogP1.38
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide (CID 142922482) is 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide is CNc1c(C=O)oc2cc(C(=O)N(C)C)cnc12.
What is the InChIKey of 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide?
The InChIKey is YXNFSYIKZRLGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-13-10-9(6-16)18-8-4-7(5-14-11(8)10)12(17)15(2)3/h4-6,13H,1-3H3.
What are the key properties of 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide?
2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formyl-N,N-dimethyl-3-(methylamino)furo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 142922482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).