2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile

C17H14N6O — CID 7996711

IUPAC2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)cc1
InChIInChI=1S/C17H14N6O/c1-2-24-12-5-3-11(4-6-12)22-17-15(10-20)13(7-8-18)14(9-19)16(21)23-17/h3-6H,2,7H2,1H3,(H3,21,22,23)
InChIKeyCKFBWLVRRUQCBU-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.62
Rot. Bonds5

About 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile

2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile (PubChem CID 7996711) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile
PubChem CID7996711
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile
SMILESCCOc1ccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)cc1
InChIInChI=1S/C17H14N6O/c1-2-24-12-5-3-11(4-6-12)22-17-15(10-20)13(7-8-18)14(9-19)16(21)23-17/h3-6H,2,7H2,1H3,(H3,21,22,23)
InChIKeyCKFBWLVRRUQCBU-UHFFFAOYSA-N
XLogP2.62
TPSA131.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-ethoxyanilino)-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetonitrile
CID 135727303
6-ethoxy-4-N-(4-ethoxyphenyl)pyrimidine-4,5-diamine
CID 19149233
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
5-amino-7-(4-ethoxyanilino)-6-ethylpyrazolo[1,5-a]pyridine-4-carbonitrile
CID 143308450
5-(4-ethoxyanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375285
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
2-amino-4-(4-ethoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 4636159
4-N-(4-chlorophenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148675
2-amino-6-(4-ethoxyphenyl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 5259045
2-amino-4-(4-ethoxyphenyl)-6-(4-methylphenyl)pyridine-3-carbonitrile
CID 3363551
4,5-diethoxy-3-(4-ethoxyanilino)-6-fluorobenzene-1,2-dicarbonitrile
CID 139814086

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile (CID 7996711) is 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile is CCOc1ccc(Nc2nc(N)c(C#N)c(CC#N)c2C#N)cc1.
What is the InChIKey of 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile?
The InChIKey is CKFBWLVRRUQCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c1-2-24-12-5-3-11(4-6-12)22-17-15(10-20)13(7-8-18)14(9-19)16(21)23-17/h3-6H,2,7H2,1H3,(H3,21,22,23).
What are the key properties of 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile?
2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile has a molecular weight of 318.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(cyanomethyl)-6-(4-ethoxyanilino)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 7996711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).