4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile

C16H15N5 — CID 107794996

IUPAC4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
SMILESCCCNc1cccc(Nc2ccc(C#N)c(C#N)c2)n1
InChIInChI=1S/C16H15N5/c1-2-8-19-15-4-3-5-16(21-15)20-14-7-6-12(10-17)13(9-14)11-18/h3-7,9H,2,8H2,1H3,(H2,19,20,21)
InChIKeyAXDWSAHLTIRGMJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.39
Rot. Bonds5

About 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile

4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile (PubChem CID 107794996) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
PubChem CID107794996
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile
SMILESCCCNc1cccc(Nc2ccc(C#N)c(C#N)c2)n1
InChIInChI=1S/C16H15N5/c1-2-8-19-15-4-3-5-16(21-15)20-14-7-6-12(10-17)13(9-14)11-18/h3-7,9H,2,8H2,1H3,(H2,19,20,21)
InChIKeyAXDWSAHLTIRGMJ-UHFFFAOYSA-N
XLogP3.39
TPSA84.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148
4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107794960
6-N-(4-bromo-3,5-dimethylphenyl)-2-N-propylpyridine-2,6-diamine
CID 107580627
4-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzene-1,2-dicarbonitrile
CID 107795039
6-N-(5-bromo-3-pyridinyl)-2-N-propylpyridine-2,6-diamine
CID 114223074
4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765
5-[(6-chloro-2-pyridinyl)amino]-2-fluorobenzonitrile
CID 63587476
4-bromo-2-[[6-(ethylamino)-2-pyridinyl]amino]benzonitrile
CID 107801742
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
6-(4-ethoxy-3-methylanilino)pyridine-2-carbonitrile
CID 133392258
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-N-(2,3-dichlorophenyl)-2-N-propylpyridine-2,6-diamine
CID 80754904

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile?
The IUPAC name of 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile (CID 107794996) is 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile is CCCNc1cccc(Nc2ccc(C#N)c(C#N)c2)n1.
What is the InChIKey of 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile?
The InChIKey is AXDWSAHLTIRGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-2-8-19-15-4-3-5-16(21-15)20-14-7-6-12(10-17)13(9-14)11-18/h3-7,9H,2,8H2,1H3,(H2,19,20,21).
What are the key properties of 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile?
4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(propylamino)-2-pyridinyl]amino]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 107794996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).