2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

C24H30N6O3 — CID 46942675

IUPAC2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCN3CCNC3=O)cn2c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C24H30N6O3/c1-4-20-23(28(2)15-17-5-8-19(33-3)9-6-17)30-16-18(7-10-21(30)27-20)22(31)25-11-13-29-14-12-26-24(29)32/h5-10,16H,4,11-15H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyLNNKJKGPYAQGOV-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.30
Rot. Bonds9

About 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46942675) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46942675
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCN3CCNC3=O)cn2c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C24H30N6O3/c1-4-20-23(28(2)15-17-5-8-19(33-3)9-6-17)30-16-18(7-10-21(30)27-20)22(31)25-11-13-29-14-12-26-24(29)32/h5-10,16H,4,11-15H2,1-3H3,(H,25,31)(H,26,32)
InChIKeyLNNKJKGPYAQGOV-UHFFFAOYSA-N
XLogP2.30
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 46942675) is 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCCN3CCNC3=O)cn2c1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LNNKJKGPYAQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-4-20-23(28(2)15-17-5-8-19(33-3)9-6-17)30-16-18(7-10-21(30)27-20)22(31)25-11-13-29-14-12-26-24(29)32/h5-10,16H,4,11-15H2,1-3H3,(H,25,31)(H,26,32).
What are the key properties of 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 450.54 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[(4-methoxyphenyl)methyl-methylamino]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46942675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).