[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone

C23H21N5O2 — CID 58235214

IUPAC[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nccc(-c2ccc(C(=O)N3CCOCC3)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H21N5O2/c1-16-19(5-2-17-3-7-22(24)27-14-17)20(8-9-25-16)18-4-6-21(26-15-18)23(29)28-10-12-30-13-11-28/h3-4,6-9,14-15H,10-13H2,1H3,(H2,24,27)
InChIKeyUFGKEORXQPKKJX-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.30
Rot. Bonds2

About [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone

[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 58235214) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID58235214
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESCc1nccc(-c2ccc(C(=O)N3CCOCC3)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C23H21N5O2/c1-16-19(5-2-17-3-7-22(24)27-14-17)20(8-9-25-16)18-4-6-21(26-15-18)23(29)28-10-12-30-13-11-28/h3-4,6-9,14-15H,10-13H2,1H3,(H2,24,27)
InChIKeyUFGKEORXQPKKJX-UHFFFAOYSA-N
XLogP2.30
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 58235214) is [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone is Cc1nccc(-c2ccc(C(=O)N3CCOCC3)nc2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is UFGKEORXQPKKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-16-19(5-2-17-3-7-22(24)27-14-17)20(8-9-25-16)18-4-6-21(26-15-18)23(29)28-10-12-30-13-11-28/h3-4,6-9,14-15H,10-13H2,1H3,(H2,24,27).
What are the key properties of [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone?
[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 399.45 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58235214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).