5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine

C20H18N4 — CID 58235297

IUPAC5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCCc1nccc(-c2ccnc(C)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H18N4/c1-3-19-18(6-4-15-5-7-20(21)24-13-15)17(9-11-23-19)16-8-10-22-14(2)12-16/h5,7-13H,3H2,1-2H3,(H2,21,24)
InChIKeyUENMMAKSOUAVRC-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.39
Rot. Bonds2

About 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine

5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine (PubChem CID 58235297) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine
PubChem CID58235297
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCCc1nccc(-c2ccnc(C)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C20H18N4/c1-3-19-18(6-4-15-5-7-20(21)24-13-15)17(9-11-23-19)16-8-10-22-14(2)12-16/h5,7-13H,3H2,1-2H3,(H2,21,24)
InChIKeyUENMMAKSOUAVRC-UHFFFAOYSA-N
XLogP3.39
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine (CID 58235297) is 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine is CCc1nccc(-c2ccnc(C)c2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The InChIKey is UENMMAKSOUAVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-3-19-18(6-4-15-5-7-20(21)24-13-15)17(9-11-23-19)16-8-10-22-14(2)12-16/h5,7-13H,3H2,1-2H3,(H2,21,24).
What are the key properties of 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine has a molecular weight of 314.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-ethyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58235297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).