N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide

C19H20FN3O2 — CID 10991464

IUPACN-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide
SMILESCc1oc2ccc(NC(=O)c3ccc(F)cc3)nc2c1CCN(C)C
InChIInChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24)
InChIKeyGQSPCQAPLIPSQV-UHFFFAOYSA-N
MW341.39 g/mol
LogP3.63
Rot. Bonds5

About N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide

N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide (PubChem CID 10991464) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide
PubChem CID10991464
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide
SMILESCc1oc2ccc(NC(=O)c3ccc(F)cc3)nc2c1CCN(C)C
InChIInChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24)
InChIKeyGQSPCQAPLIPSQV-UHFFFAOYSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide (CID 10991464) is N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide is Cc1oc2ccc(NC(=O)c3ccc(F)cc3)nc2c1CCN(C)C.
What is the InChIKey of N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide?
The InChIKey is GQSPCQAPLIPSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-12-15(10-11-23(2)3)18-16(25-12)8-9-17(21-18)22-19(24)13-4-6-14(20)7-5-13/h4-9H,10-11H2,1-3H3,(H,21,22,24).
What are the key properties of N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide?
N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide has a molecular weight of 341.39 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethyl]-2-methylfuro[3,2-b]pyridin-5-yl]-4-fluorobenzamide is sourced from PubChem (CID 10991464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).