4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile

C14H14N4 — CID 113367461

IUPAC4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile
SMILESCCNc1cc(Nc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C14H14N4/c1-2-16-14-9-13(7-8-17-14)18-12-5-3-11(10-15)4-6-12/h3-9H,2H2,1H3,(H2,16,17,18)
InChIKeyFMGWWKVZVQHHPX-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.13
Rot. Bonds4

About 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile

4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile (PubChem CID 113367461) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile
PubChem CID113367461
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile
SMILESCCNc1cc(Nc2ccc(C#N)cc2)ccn1
InChIInChI=1S/C14H14N4/c1-2-16-14-9-13(7-8-17-14)18-12-5-3-11(10-15)4-6-12/h3-9H,2H2,1H3,(H2,16,17,18)
InChIKeyFMGWWKVZVQHHPX-UHFFFAOYSA-N
XLogP3.13
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]benzonitrile
CID 80760803
2-N-ethyl-4-N-(4-fluoro-3-methoxyphenyl)pyridine-2,4-diamine
CID 114841089
4-(4-propylanilino)pyridine-2-carbonitrile
CID 62924957
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
4-[[4-(butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112882981
4-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112865429
4-[[4-(ethylamino)-5-iodopyrimidin-2-yl]amino]benzonitrile
CID 90052289
4-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 80738039
4-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 62926534
4-[[4-(tert-butylamino)pyrimidin-2-yl]amino]benzonitrile
CID 112899790
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217376

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile?
The IUPAC name of 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile (CID 113367461) is 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile?
The canonical SMILES for 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile is CCNc1cc(Nc2ccc(C#N)cc2)ccn1.
What is the InChIKey of 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile?
The InChIKey is FMGWWKVZVQHHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-16-14-9-13(7-8-17-14)18-12-5-3-11(10-15)4-6-12/h3-9H,2H2,1H3,(H2,16,17,18).
What are the key properties of 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile?
4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethylamino)-4-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 113367461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).