N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide

C21H24N4O3 — CID 155551995

IUPACN-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)C(C)Oc2ccccc2)nc2ccccn12
InChIInChI=1S/C21H24N4O3/c1-3-4-13-22-21(27)18-19(23-17-12-8-9-14-25(17)18)24-20(26)15(2)28-16-10-6-5-7-11-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyCWORBOPLPJZUAX-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.27
Rot. Bonds8

About N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide

N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 155551995) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID155551995
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCCCNC(=O)c1c(NC(=O)C(C)Oc2ccccc2)nc2ccccn12
InChIInChI=1S/C21H24N4O3/c1-3-4-13-22-21(27)18-19(23-17-12-8-9-14-25(17)18)24-20(26)15(2)28-16-10-6-5-7-11-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyCWORBOPLPJZUAX-UHFFFAOYSA-N
XLogP3.27
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide (CID 155551995) is N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide is CCCCNC(=O)c1c(NC(=O)C(C)Oc2ccccc2)nc2ccccn12.
What is the InChIKey of N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is CWORBOPLPJZUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-4-13-22-21(27)18-19(23-17-12-8-9-14-25(17)18)24-20(26)15(2)28-16-10-6-5-7-11-16/h5-12,14-15H,3-4,13H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide?
N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-phenoxypropanoylamino)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 155551995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).