[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'}

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

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Launch Full Analysis

Related Compounds

6-Piperazin-1-yl-2'-(tetrahydropyran-4-ylamino)-[2,4']bipyridinyl-4-carboxylic acid amide
CID 46901385
N-(5-(4-Acetylpiperazin-1-yl)pyridin-2-yl)-2-(2',3-dimethyl-[2,4'-bipyridin]-5-yl)acetamide
CID 46927217
US10251893, Cpd 166
CID 58447954
2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-ylpyridin-4-yl]-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117610115
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-piperazin-1-yl-methanone
CID 71453913
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 71455663
[4-[6-Amino-5-[6-(trifluoromethyl)-3-pyridyl]-3-pyridyl]phenyl]-morpholino-methanone
CID 71457442
3-amino-6-[4-(4-methylpiperazine-1-carbonyl)phenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10182620
N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]isoquinoline-3-carboxamide
CID 11603486
(4-(Pyridin-2-yl)piperazin-1-yl)(3-(pyridin-2-ylethynyl)phenyl)methanone
CID 53319990
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]isoquinoline-3-carboxamide
CID 57873508
[4-[4-(2-Aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 59244337

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).