3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide

C21H20N4O3 — CID 134806357

IUPAC3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3cccnc3OC)c3c2CCO3)c1
InChIInChI=1S/C21H20N4O3/c1-22-20(26)14-6-3-5-13(11-14)16-12-24-19(18-15(16)8-10-28-18)25-17-7-4-9-23-21(17)27-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyNYESPDHSPVOUAL-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.19
Rot. Bonds5

About 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide

3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide (PubChem CID 134806357) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
PubChem CID134806357
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-c2cnc(Nc3cccnc3OC)c3c2CCO3)c1
InChIInChI=1S/C21H20N4O3/c1-22-20(26)14-6-3-5-13(11-14)16-12-24-19(18-15(16)8-10-28-18)25-17-7-4-9-23-21(17)27-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyNYESPDHSPVOUAL-UHFFFAOYSA-N
XLogP3.19
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
The IUPAC name of 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide (CID 134806357) is 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
The canonical SMILES for 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide is CNC(=O)c1cccc(-c2cnc(Nc3cccnc3OC)c3c2CCO3)c1.
What is the InChIKey of 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
The InChIKey is NYESPDHSPVOUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-22-20(26)14-6-3-5-13(11-14)16-12-24-19(18-15(16)8-10-28-18)25-17-7-4-9-23-21(17)27-2/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide?
3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide has a molecular weight of 376.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(2-methoxy-3-pyridinyl)amino]-2,3-dihydrofuro[2,3-c]pyridin-4-yl]-N-methylbenzamide is sourced from PubChem (CID 134806357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).