2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

C28H30N4O4 — CID 46943791

IUPAC2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C28H30N4O4/c1-4-24-28(31(2)26(33)18-20-8-6-5-7-9-20)32-19-21(10-15-25(32)30-24)27(34)29-16-17-36-23-13-11-22(35-3)12-14-23/h5-15,19H,4,16-18H2,1-3H3,(H,29,34)
InChIKeyMUUHJQRSAVWTQV-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.92
Rot. Bonds10

About 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943791) has the molecular formula C28H30N4O4 and a molecular weight of 486.57 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943791
Molecular FormulaC28H30N4O4
Molecular Weight486.57 g/mol
Exact Mass486.23
IUPAC Name2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)Cc1ccccc1
InChIInChI=1S/C28H30N4O4/c1-4-24-28(31(2)26(33)18-20-8-6-5-7-9-20)32-19-21(10-15-25(32)30-24)27(34)29-16-17-36-23-13-11-22(35-3)12-14-23/h5-15,19H,4,16-18H2,1-3H3,(H,29,34)
InChIKeyMUUHJQRSAVWTQV-UHFFFAOYSA-N
XLogP3.92
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46943791) is 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(C)C(=O)Cc1ccccc1.
What is the InChIKey of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MUUHJQRSAVWTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O4/c1-4-24-28(31(2)26(33)18-20-8-6-5-7-9-20)32-19-21(10-15-25(32)30-24)27(34)29-16-17-36-23-13-11-22(35-3)12-14-23/h5-15,19H,4,16-18H2,1-3H3,(H,29,34).
What are the key properties of 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]-3-[methyl-(2-phenylacetyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).