2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide

C19H26N4O2 — CID 141240902

IUPAC2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
SMILESCCCCCC#Cc1c(NCC(=O)NO)nc2cccc(CCC)n12
InChIInChI=1S/C19H26N4O2/c1-3-5-6-7-8-12-16-19(20-14-18(24)22-25)21-17-13-9-11-15(10-4-2)23(16)17/h9,11,13,20,25H,3-7,10,14H2,1-2H3,(H,22,24)
InChIKeyKGZMCZCXUCHACE-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.14
Rot. Bonds8

About 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide

2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide (PubChem CID 141240902) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide.

Molecular Properties

Compound Name2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
PubChem CID141240902
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide
SMILESCCCCCC#Cc1c(NCC(=O)NO)nc2cccc(CCC)n12
InChIInChI=1S/C19H26N4O2/c1-3-5-6-7-8-12-16-19(20-14-18(24)22-25)21-17-13-9-11-15(10-4-2)23(16)17/h9,11,13,20,25H,3-7,10,14H2,1-2H3,(H,22,24)
InChIKeyKGZMCZCXUCHACE-UHFFFAOYSA-N
XLogP3.14
TPSA78.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
The IUPAC name of 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide (CID 141240902) is 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide.
What is the SMILES notation for 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
The canonical SMILES for 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide is CCCCCC#Cc1c(NCC(=O)NO)nc2cccc(CCC)n12.
What is the InChIKey of 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
The InChIKey is KGZMCZCXUCHACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-5-6-7-8-12-16-19(20-14-18(24)22-25)21-17-13-9-11-15(10-4-2)23(16)17/h9,11,13,20,25H,3-7,10,14H2,1-2H3,(H,22,24).
What are the key properties of 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide?
2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide has a molecular weight of 342.44 g/mol, XLogP of 3.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hept-1-ynyl-5-propylimidazo[1,2-a]pyridin-2-yl)amino]-N-hydroxyacetamide is sourced from PubChem (CID 141240902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).