N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

C22H29N5OS — CID 46948061

IUPACN-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(C)Cc1nccs1
InChIInChI=1S/C22H29N5OS/c1-3-18-22(26(2)15-20-23-11-12-29-20)27-14-17(9-10-19(27)25-18)21(28)24-13-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13,15H2,1-2H3,(H,24,28)
InChIKeyAVQOINKICUJJJD-UHFFFAOYSA-N
MW411.58 g/mol
LogP4.30
Rot. Bonds7

About N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide

N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948061) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948061
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC NameN-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(C)Cc1nccs1
InChIInChI=1S/C22H29N5OS/c1-3-18-22(26(2)15-20-23-11-12-29-20)27-14-17(9-10-19(27)25-18)21(28)24-13-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13,15H2,1-2H3,(H,24,28)
InChIKeyAVQOINKICUJJJD-UHFFFAOYSA-N
XLogP4.30
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide (CID 46948061) is N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is CCc1nc2ccc(C(=O)NCC3CCCCC3)cn2c1N(C)Cc1nccs1.
What is the InChIKey of N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is AVQOINKICUJJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-3-18-22(26(2)15-20-23-11-12-29-20)27-14-17(9-10-19(27)25-18)21(28)24-13-16-7-5-4-6-8-16/h9-12,14,16H,3-8,13,15H2,1-2H3,(H,24,28).
What are the key properties of N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide?
N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 411.58 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-ethyl-3-[methyl(1,3-thiazol-2-ylmethyl)amino]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).