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

C29H31N5O5 — CID 46943138

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C=O)Cc1ccc(OC)cc1
InChIInChI=1S/C29H31N5O5/c1-5-25-29(33(19-35)16-20-9-12-23(38-4)13-10-20)34-17-21(11-14-26(34)31-25)28(37)30-22-7-6-8-24(15-22)39-18-27(36)32(2)3/h6-15,17,19H,5,16,18H2,1-4H3,(H,30,37)
InChIKeyAEANMVIARBEQSX-UHFFFAOYSA-N
MW529.60 g/mol
LogP3.79
Rot. Bonds11

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

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46943138) has the molecular formula C29H31N5O5 and a molecular weight of 529.60 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46943138
Molecular FormulaC29H31N5O5
Molecular Weight529.60 g/mol
Exact Mass529.23
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C=O)Cc1ccc(OC)cc1
InChIInChI=1S/C29H31N5O5/c1-5-25-29(33(19-35)16-20-9-12-23(38-4)13-10-20)34-17-21(11-14-26(34)31-25)28(37)30-22-7-6-8-24(15-22)39-18-27(36)32(2)3/h6-15,17,19H,5,16,18H2,1-4H3,(H,30,37)
InChIKeyAEANMVIARBEQSX-UHFFFAOYSA-N
XLogP3.79
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.60
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46943138) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)Nc3cccc(OCC(=O)N(C)C)c3)cn2c1N(C=O)Cc1ccc(OC)cc1.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AEANMVIARBEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O5/c1-5-25-29(33(19-35)16-20-9-12-23(38-4)13-10-20)34-17-21(11-14-26(34)31-25)28(37)30-22-7-6-8-24(15-22)39-18-27(36)32(2)3/h6-15,17,19H,5,16,18H2,1-4H3,(H,30,37).
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-2-ethyl-3-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 529.60 g/mol, XLogP of 3.79, 11 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-[formyl-[(4-methoxyphenyl)methyl]amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46943138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).