2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile

C17H17FN4O — CID 34001293

IUPAC2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C17H17FN4O/c18-15-2-1-3-16(14(15)11-19)21-12-13-4-5-20-17(10-13)22-6-8-23-9-7-22/h1-5,10,21H,6-9,12H2
InChIKeyIUKUWPGWWIQBHD-UHFFFAOYSA-N
MW312.35 g/mol
LogP2.54
Rot. Bonds4

About 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile

2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile (PubChem CID 34001293) has the molecular formula C17H17FN4O and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile
PubChem CID34001293
Molecular FormulaC17H17FN4O
Molecular Weight312.35 g/mol
Exact Mass312.14
IUPAC Name2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccnc(N2CCOCC2)c1
InChIInChI=1S/C17H17FN4O/c18-15-2-1-3-16(14(15)11-19)21-12-13-4-5-20-17(10-13)22-6-8-23-9-7-22/h1-5,10,21H,6-9,12H2
InChIKeyIUKUWPGWWIQBHD-UHFFFAOYSA-N
XLogP2.54
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile (CID 34001293) is 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile is N#Cc1c(F)cccc1NCc1ccnc(N2CCOCC2)c1.
What is the InChIKey of 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile?
The InChIKey is IUKUWPGWWIQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O/c18-15-2-1-3-16(14(15)11-19)21-12-13-4-5-20-17(10-13)22-6-8-23-9-7-22/h1-5,10,21H,6-9,12H2.
What are the key properties of 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile?
2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile has a molecular weight of 312.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[(2-morpholin-4-yl-4-pyridinyl)methylamino]benzonitrile is sourced from PubChem (CID 34001293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).