N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

C27H28N6O4 — CID 46944096

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)C(=O)c1ccncc1
InChIInChI=1S/C27H28N6O4/c1-5-22-26(32(4)27(36)18-11-13-28-14-12-18)33-16-19(9-10-23(33)30-22)25(35)29-20-7-6-8-21(15-20)37-17-24(34)31(2)3/h6-16H,5,17H2,1-4H3,(H,29,35)
InChIKeyZNBVLZLOTNEQGL-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.29
Rot. Bonds8

About N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46944096) has the molecular formula C27H28N6O4 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46944096
Molecular FormulaC27H28N6O4
Molecular Weight500.56 g/mol
Exact Mass500.22
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)C(=O)c1ccncc1
InChIInChI=1S/C27H28N6O4/c1-5-22-26(32(4)27(36)18-11-13-28-14-12-18)33-16-19(9-10-23(33)30-22)25(35)29-20-7-6-8-21(15-20)37-17-24(34)31(2)3/h6-16H,5,17H2,1-4H3,(H,29,35)
InChIKeyZNBVLZLOTNEQGL-UHFFFAOYSA-N
XLogP3.29
TPSA109.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46944096) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C)C(=O)c1ccncc1.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is ZNBVLZLOTNEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4/c1-5-22-26(32(4)27(36)18-11-13-28-14-12-18)33-16-19(9-10-23(33)30-22)25(35)29-20-7-6-8-21(15-20)37-17-24(34)31(2)3/h6-16H,5,17H2,1-4H3,(H,29,35).
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[methyl(pyridine-4-carbonyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46944096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).