5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide

C22H21N5O2 — CID 58235235

IUPAC5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)cn1
InChIInChI=1S/C22H21N5O2/c1-15-18(6-3-16-4-8-21(23)27-13-16)19(9-10-24-15)17-5-7-20(26-14-17)22(28)25-11-12-29-2/h4-5,7-10,13-14H,11-12H2,1-2H3,(H2,23,27)(H,25,28)
InChIKeyAASGDYPVVLTOTG-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.21
Rot. Bonds5

About 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide

5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide (PubChem CID 58235235) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
PubChem CID58235235
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)cn1
InChIInChI=1S/C22H21N5O2/c1-15-18(6-3-16-4-8-21(23)27-13-16)19(9-10-24-15)17-5-7-20(26-14-17)22(28)25-11-12-29-2/h4-5,7-10,13-14H,11-12H2,1-2H3,(H2,23,27)(H,25,28)
InChIKeyAASGDYPVVLTOTG-UHFFFAOYSA-N
XLogP2.21
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide with MolForge

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Related Compounds

4-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N,N-dimethylbenzamide
CID 58235315
5-(4-hydroxybut-1-ynyl)-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 62960261
N-(2-methoxyethyl)-5-(4-methylanilino)pyridine-2-carboxamide
CID 109183906
5-bromo-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 62954201
methyl 4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoate
CID 58513426
5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-[(1-ethylpyrrolidin-3-yl)methyl]-2-fluoro-N-methylbenzamide
CID 58235215
5-[3-[2-(6-amino-2-methyl-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-2-chloro-N-methylbenzamide
CID 58235224
4-[5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoic acid
CID 58072596
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093
5-(3-aminoprop-1-ynyl)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 62953500

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide (CID 58235235) is 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide is COCCNC(=O)c1ccc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)cn1.
What is the InChIKey of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
The InChIKey is AASGDYPVVLTOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-15-18(6-3-16-4-8-21(23)27-13-16)19(9-10-24-15)17-5-7-20(26-14-17)22(28)25-11-12-29-2/h4-5,7-10,13-14H,11-12H2,1-2H3,(H2,23,27)(H,25,28).
What are the key properties of 5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide?
5-[3-[2-(6-amino-3-pyridinyl)ethynyl]-2-methyl-4-pyridinyl]-N-(2-methoxyethyl)pyridine-2-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 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]-N-(2-methoxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 58235235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).