[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone

C24H23N5O — CID 58235258

IUPAC[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1nccc(-c2ccc(C(=O)N3CCCCC3)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C24H23N5O/c1-17-20(8-5-18-6-10-23(25)28-15-18)21(11-12-26-17)19-7-9-22(27-16-19)24(30)29-13-3-2-4-14-29/h6-7,9-12,15-16H,2-4,13-14H2,1H3,(H2,25,28)
InChIKeyDZKQMCBZTRIFTD-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.46
Rot. Bonds2

About [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone

[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 58235258) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone
PubChem CID58235258
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone
SMILESCc1nccc(-c2ccc(C(=O)N3CCCCC3)nc2)c1C#Cc1ccc(N)nc1
InChIInChI=1S/C24H23N5O/c1-17-20(8-5-18-6-10-23(25)28-15-18)21(11-12-26-17)19-7-9-22(27-16-19)24(30)29-13-3-2-4-14-29/h6-7,9-12,15-16H,2-4,13-14H2,1H3,(H2,25,28)
InChIKeyDZKQMCBZTRIFTD-UHFFFAOYSA-N
XLogP3.46
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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]-piperidin-1-ylmethanone?
The IUPAC name of [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone (CID 58235258) is [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone is Cc1nccc(-c2ccc(C(=O)N3CCCCC3)nc2)c1C#Cc1ccc(N)nc1.
What is the InChIKey of [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is DZKQMCBZTRIFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-17-20(8-5-18-6-10-23(25)28-15-18)21(11-12-26-17)19-7-9-22(27-16-19)24(30)29-13-3-2-4-14-29/h6-7,9-12,15-16H,2-4,13-14H2,1H3,(H2,25,28).
What are the key properties of [5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone?
[5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 397.48 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 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]-piperidin-1-ylmethanone is sourced from PubChem (CID 58235258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).