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

C24H32N4O3 — CID 46948174

IUPACN-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2c1N(C)CCC(C)C
InChIInChI=1S/C24H32N4O3/c1-7-19-24(27(4)13-12-16(2)3)28-15-17(8-11-22(28)26-19)23(29)25-18-9-10-20(30-5)21(14-18)31-6/h8-11,14-16H,7,12-13H2,1-6H3,(H,25,29)
InChIKeyFOBCIBFUMRVCON-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.65
Rot. Bonds9

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

N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948174) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948174
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2c1N(C)CCC(C)C
InChIInChI=1S/C24H32N4O3/c1-7-19-24(27(4)13-12-16(2)3)28-15-17(8-11-22(28)26-19)23(29)25-18-9-10-20(30-5)21(14-18)31-6/h8-11,14-16H,7,12-13H2,1-6H3,(H,25,29)
InChIKeyFOBCIBFUMRVCON-UHFFFAOYSA-N
XLogP4.65
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948174) is N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cn2c1N(C)CCC(C)C.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is FOBCIBFUMRVCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-7-19-24(27(4)13-12-16(2)3)28-15-17(8-11-22(28)26-19)23(29)25-18-9-10-20(30-5)21(14-18)31-6/h8-11,14-16H,7,12-13H2,1-6H3,(H,25,29).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-ethyl-3-[methyl(3-methylbutyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).