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

C30H36N4O5 — CID 46944216

IUPAC3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C30H36N4O5/c1-6-25-30(33(7-2)19-21-8-14-26(37-4)27(18-21)38-5)34-20-22(9-15-28(34)32-25)29(35)31-16-17-39-24-12-10-23(36-3)11-13-24/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,31,35)
InChIKeyNSWVKGFIUGXYLX-UHFFFAOYSA-N
MW532.64 g/mol
LogP4.76
Rot. Bonds13

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

3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46944216) has the molecular formula C30H36N4O5 and a molecular weight of 532.64 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46944216
Molecular FormulaC30H36N4O5
Molecular Weight532.64 g/mol
Exact Mass532.27
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C30H36N4O5/c1-6-25-30(33(7-2)19-21-8-14-26(37-4)27(18-21)38-5)34-20-22(9-15-28(34)32-25)29(35)31-16-17-39-24-12-10-23(36-3)11-13-24/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,31,35)
InChIKeyNSWVKGFIUGXYLX-UHFFFAOYSA-N
XLogP4.76
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.64
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 46944216) is 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCOc3ccc(OC)cc3)cn2c1N(CC)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is NSWVKGFIUGXYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O5/c1-6-25-30(33(7-2)19-21-8-14-26(37-4)27(18-21)38-5)34-20-22(9-15-28(34)32-25)29(35)31-16-17-39-24-12-10-23(36-3)11-13-24/h8-15,18,20H,6-7,16-17,19H2,1-5H3,(H,31,35).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 4.76, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-ethyl-N-[2-(4-methoxyphenoxy)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46944216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).