2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile

C20H18N4 — CID 5088040

IUPAC2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCCCc1ccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H18N4/c1-2-4-14-6-8-15(9-7-14)19-11-17(16-5-3-10-23-13-16)18(12-21)20(22)24-19/h3,5-11,13H,2,4H2,1H3,(H2,22,24)
InChIKeyLPYALPBWPKDKMH-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.22
Rot. Bonds4

About 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile

2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile (PubChem CID 5088040) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
PubChem CID5088040
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile
SMILESCCCc1ccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)cc1
InChIInChI=1S/C20H18N4/c1-2-4-14-6-8-15(9-7-14)19-11-17(16-5-3-10-23-13-16)18(12-21)20(22)24-19/h3,5-11,13H,2,4H2,1H3,(H2,22,24)
InChIKeyLPYALPBWPKDKMH-UHFFFAOYSA-N
XLogP4.22
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile (CID 5088040) is 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile is CCCc1ccc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)cc1.
What is the InChIKey of 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
The InChIKey is LPYALPBWPKDKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-2-4-14-6-8-15(9-7-14)19-11-17(16-5-3-10-23-13-16)18(12-21)20(22)24-19/h3,5-11,13H,2,4H2,1H3,(H2,22,24).
What are the key properties of 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile?
2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile has a molecular weight of 314.39 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-propylphenyl)-4-pyridin-3-ylpyridine-3-carbonitrile is sourced from PubChem (CID 5088040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).