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

C27H30N4O3 — CID 46948356

IUPAC2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C27H30N4O3/c1-5-24-27(30(2)17-20-8-13-23(34-4)14-9-20)31-18-21(10-15-25(31)29-24)26(32)28-16-19-6-11-22(33-3)12-7-19/h6-15,18H,5,16-17H2,1-4H3,(H,28,32)
InChIKeyCXRLVWVFRALLFQ-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.48
Rot. Bonds9

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

2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948356) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948356
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C27H30N4O3/c1-5-24-27(30(2)17-20-8-13-23(34-4)14-9-20)31-18-21(10-15-25(31)29-24)26(32)28-16-19-6-11-22(33-3)12-7-19/h6-15,18H,5,16-17H2,1-4H3,(H,28,32)
InChIKeyCXRLVWVFRALLFQ-UHFFFAOYSA-N
XLogP4.48
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948356) is 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCc3ccc(OC)cc3)cn2c1N(C)Cc1ccc(OC)cc1.
What is the InChIKey of 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CXRLVWVFRALLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O3/c1-5-24-27(30(2)17-20-8-13-23(34-4)14-9-20)31-18-21(10-15-25(31)29-24)26(32)28-16-19-6-11-22(33-3)12-7-19/h6-15,18H,5,16-17H2,1-4H3,(H,28,32).
What are the key properties of 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide?
2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 458.56 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl-methylamino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).