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

C23H24N4 — CID 58235299

IUPAC5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCCc1nccc(-c2ccnc(C(C)(C)C)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H24N4/c1-5-20-19(8-6-16-7-9-22(24)27-15-16)18(11-13-25-20)17-10-12-26-21(14-17)23(2,3)4/h7,9-15H,5H2,1-4H3,(H2,24,27)
InChIKeyUPFYZVUXBYYQEH-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.38
Rot. Bonds2

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

5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine (PubChem CID 58235299) has the molecular formula C23H24N4 and a molecular weight of 356.47 g/mol. Its IUPAC name is 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine
PubChem CID58235299
Molecular FormulaC23H24N4
Molecular Weight356.47 g/mol
Exact Mass356.20
IUPAC Name5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCCc1nccc(-c2ccnc(C(C)(C)C)c2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H24N4/c1-5-20-19(8-6-16-7-9-22(24)27-15-16)18(11-13-25-20)17-10-12-26-21(14-17)23(2,3)4/h7,9-15H,5H2,1-4H3,(H2,24,27)
InChIKeyUPFYZVUXBYYQEH-UHFFFAOYSA-N
XLogP4.38
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.38
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-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine (CID 58235299) is 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine is CCc1nccc(-c2ccnc(C(C)(C)C)c2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine?
The InChIKey is UPFYZVUXBYYQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4/c1-5-20-19(8-6-16-7-9-22(24)27-15-16)18(11-13-25-20)17-10-12-26-21(14-17)23(2,3)4/h7,9-15H,5H2,1-4H3,(H2,24,27).
What are the key properties of 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine?
5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine has a molecular weight of 356.47 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2-tert-butyl-4-pyridinyl)-2-ethyl-3-pyridinyl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58235299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).