2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide

C19H20FN3O3 — CID 51128406

IUPAC2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)c1ccnc(NC2CC2)c1
InChIInChI=1S/C19H20FN3O3/c20-15-7-12(18-14(8-15)10-25-11-26-18)3-6-22-19(24)13-4-5-21-17(9-13)23-16-1-2-16/h4-5,7-9,16H,1-3,6,10-11H2,(H,21,23)(H,22,24)
InChIKeyHDQWDLLFXVOCNA-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.63
Rot. Bonds6

About 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide

2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide (PubChem CID 51128406) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
PubChem CID51128406
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide
SMILESO=C(NCCc1cc(F)cc2c1OCOC2)c1ccnc(NC2CC2)c1
InChIInChI=1S/C19H20FN3O3/c20-15-7-12(18-14(8-15)10-25-11-26-18)3-6-22-19(24)13-4-5-21-17(9-13)23-16-1-2-16/h4-5,7-9,16H,1-3,6,10-11H2,(H,21,23)(H,22,24)
InChIKeyHDQWDLLFXVOCNA-UHFFFAOYSA-N
XLogP2.63
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide (CID 51128406) is 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide is O=C(NCCc1cc(F)cc2c1OCOC2)c1ccnc(NC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is HDQWDLLFXVOCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-7-12(18-14(8-15)10-25-11-26-18)3-6-22-19(24)13-4-5-21-17(9-13)23-16-1-2-16/h4-5,7-9,16H,1-3,6,10-11H2,(H,21,23)(H,22,24).
What are the key properties of 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide?
2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 51128406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).