2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile

C17H17N5 — CID 13359707

IUPAC2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
SMILESCCCCNc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C17H17N5/c1-2-3-9-21-17-14(11-19)15(12-7-5-4-6-8-12)13(10-18)16(20)22-17/h4-8H,2-3,9H2,1H3,(H3,20,21,22)
InChIKeyZLNNTRKLXKKQDP-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 13359707) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID13359707
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC Name2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile
SMILESCCCCNc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C17H17N5/c1-2-3-9-21-17-14(11-19)15(12-7-5-4-6-8-12)13(10-18)16(20)22-17/h4-8H,2-3,9H2,1H3,(H3,20,21,22)
InChIKeyZLNNTRKLXKKQDP-UHFFFAOYSA-N
XLogP3.29
TPSA98.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(2-hydroxyethylamino)-4-phenylpyridine-3,5-dicarbonitrile
CID 86127467
3-(butylamino)-5-phenyl-1,2-thiazole-4-carbonitrile
CID 86278738
2-amino-5,6-dimethyl-4-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4633808
2-amino-4-(4-cyanophenyl)-5-ethyl-6-phenylpyridine-3-carbonitrile
CID 3402109
7-amino-5-(butylamino)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452769
5-amino-3-(butylamino)-1,2-oxazole-4-carbonitrile
CID 102795776
2-amino-6-(butylamino)benzonitrile
CID 12715720
2-amino-5-ethyl-4-(4-methoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 856266
2-amino-5-methyl-6-[(2R)-2-methylbutyl]-4-phenylpyridine-3-carbonitrile
CID 7289453
4,6-diamino-3-phenylpyridine-2,5-dicarbonitrile
CID 91973425
7-amino-5-(butylamino)-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
CID 170452748
2-amino-5-butyl-4-(3,4-dimethoxyphenyl)-6-phenylpyridine-3-carbonitrile
CID 3116796

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile (CID 13359707) is 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile is CCCCNc1nc(N)c(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is ZLNNTRKLXKKQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-2-3-9-21-17-14(11-19)15(12-7-5-4-6-8-12)13(10-18)16(20)22-17/h4-8H,2-3,9H2,1H3,(H3,20,21,22).
What are the key properties of 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 291.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(butylamino)-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 13359707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).