4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine

C17H17N3 — CID 166668066

IUPAC4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine
SMILESCC1C=CC=C(c2cc(N)nc(-c3ccccn3)c2)C1
InChIInChI=1S/C17H17N3/c1-12-5-4-6-13(9-12)14-10-16(20-17(18)11-14)15-7-2-3-8-19-15/h2-8,10-12H,9H2,1H3,(H2,18,20)
InChIKeyFONFKBZMSKDKKS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.71
Rot. Bonds2

About 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine

4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine (PubChem CID 166668066) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine
PubChem CID166668066
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine
SMILESCC1C=CC=C(c2cc(N)nc(-c3ccccn3)c2)C1
InChIInChI=1S/C17H17N3/c1-12-5-4-6-13(9-12)14-10-16(20-17(18)11-14)15-7-2-3-8-19-15/h2-8,10-12H,9H2,1H3,(H2,18,20)
InChIKeyFONFKBZMSKDKKS-UHFFFAOYSA-N
XLogP3.71
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-methylcyclohexa-1,3-dien-1-yl)-5-phenylphenyl]-4-(5-pyridin-2-ylcyclohexa-1,5-dien-1-yl)-6-(3-pyridin-2-ylphenyl)-1,3,5-triazine
CID 166956944
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
4-[6-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2,6-dipyridin-2-ylpyridine
CID 171935887
[4-(5-methylcyclohexa-1,3-dien-1-yl)phenyl]methanamine
CID 146244829
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
4-[4-(4-methylsulfanylphenyl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 132837741
5-methyl-6-pyridin-2-yl-4,5-dihydropyridazin-3-amine
CID 14392554
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-phenyl-2-[2-(2-triphenylen-2-ylphenyl)phenyl]pyrimidine
CID 167149257

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine (CID 166668066) is 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine is CC1C=CC=C(c2cc(N)nc(-c3ccccn3)c2)C1.
What is the InChIKey of 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine?
The InChIKey is FONFKBZMSKDKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-5-4-6-13(9-12)14-10-16(20-17(18)11-14)15-7-2-3-8-19-15/h2-8,10-12H,9H2,1H3,(H2,18,20).
What are the key properties of 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine?
4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylcyclohexa-1,3-dien-1-yl)-6-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 166668066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).