N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

C28H33N5OS — CID 46948410

IUPACN-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C28H33N5OS/c1-3-25-28(31(2)20-24-10-7-17-35-24)33-19-22(11-12-26(33)30-25)27(34)29-23-13-15-32(16-14-23)18-21-8-5-4-6-9-21/h4-12,17,19,23H,3,13-16,18,20H2,1-2H3,(H,29,34)
InChIKeyJQZPHSRSJJRCLU-UHFFFAOYSA-N
MW487.67 g/mol
LogP4.99
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948410) has the molecular formula C28H33N5OS and a molecular weight of 487.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948410
Molecular FormulaC28H33N5OS
Molecular Weight487.67 g/mol
Exact Mass487.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(C)Cc1cccs1
InChIInChI=1S/C28H33N5OS/c1-3-25-28(31(2)20-24-10-7-17-35-24)33-19-22(11-12-26(33)30-25)27(34)29-23-13-15-32(16-14-23)18-21-8-5-4-6-9-21/h4-12,17,19,23H,3,13-16,18,20H2,1-2H3,(H,29,34)
InChIKeyJQZPHSRSJJRCLU-UHFFFAOYSA-N
XLogP4.99
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.67
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948410) is N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cn2c1N(C)Cc1cccs1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is JQZPHSRSJJRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5OS/c1-3-25-28(31(2)20-24-10-7-17-35-24)33-19-22(11-12-26(33)30-25)27(34)29-23-13-15-32(16-14-23)18-21-8-5-4-6-9-21/h4-12,17,19,23H,3,13-16,18,20H2,1-2H3,(H,29,34).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 487.67 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-ethyl-3-[methyl(thiophen-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).