2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile

C14H13FN4 — CID 104533044

IUPAC2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
SMILESCCNc1cncc(Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C14H13FN4/c1-2-18-10-6-11(9-17-8-10)19-14-5-3-4-13(15)12(14)7-16/h3-6,8-9,18-19H,2H2,1H3
InChIKeyWJTSOOXNOYQPNP-UHFFFAOYSA-N
MW256.28 g/mol
LogP3.27
Rot. Bonds4

About 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile

2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile (PubChem CID 104533044) has the molecular formula C14H13FN4 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
PubChem CID104533044
Molecular FormulaC14H13FN4
Molecular Weight256.28 g/mol
Exact Mass256.11
IUPAC Name2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile
SMILESCCNc1cncc(Nc2cccc(F)c2C#N)c1
InChIInChI=1S/C14H13FN4/c1-2-18-10-6-11(9-17-8-10)19-14-5-3-4-13(15)12(14)7-16/h3-6,8-9,18-19H,2H2,1H3
InChIKeyWJTSOOXNOYQPNP-UHFFFAOYSA-N
XLogP3.27
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80793878
2-[[2-(ethylamino)-5-methylpyrimidin-4-yl]amino]-6-fluorobenzonitrile
CID 80792497
5-N-(3-bromo-2-methylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 107638767
5-N-(2-tert-butylphenyl)-3-N-ethylpyridine-3,5-diamine
CID 104534804
2-fluoro-6-[(1-methylpyrazol-4-yl)amino]benzonitrile
CID 78916028
2-[(1-tert-butylpyrazol-4-yl)amino]-6-fluorobenzonitrile
CID 52855545
2-fluoro-6-[[5-(propylamino)-3-pyridinyl]oxy]benzonitrile
CID 104536574
2-fluoro-6-(3-hydroxyanilino)benzonitrile
CID 82242626
3-N-ethyl-5-N-phenylpyridine-3,5-diamine
CID 104532192
2-fluoro-6-(3-propan-2-ylanilino)benzonitrile
CID 78910919
2-fluoro-6-(4-propoxyanilino)benzonitrile
CID 79513492
2-(4-aminoanilino)-6-fluorobenzonitrile
CID 43580495

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile (CID 104533044) is 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile is CCNc1cncc(Nc2cccc(F)c2C#N)c1.
What is the InChIKey of 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile?
The InChIKey is WJTSOOXNOYQPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4/c1-2-18-10-6-11(9-17-8-10)19-14-5-3-4-13(15)12(14)7-16/h3-6,8-9,18-19H,2H2,1H3.
What are the key properties of 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile?
2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile has a molecular weight of 256.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(ethylamino)-3-pyridinyl]amino]-6-fluorobenzonitrile is sourced from PubChem (CID 104533044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).