cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate

C22H25N5O3 — CID 134203955

IUPACcyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1cn2cc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)ccc2n1
InChIInChI=1S/C22H25N5O3/c1-14-19(25-22(29)30-18-6-4-3-5-7-18)10-17(11-23-14)16-8-9-21-26-20(24-15(2)28)13-27(21)12-16/h8-13,18H,3-7H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHQEPYFTVIURFOQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP4.54
Rot. Bonds4

About cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate

cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 134203955) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
PubChem CID134203955
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Namecyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCC(=O)Nc1cn2cc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)ccc2n1
InChIInChI=1S/C22H25N5O3/c1-14-19(25-22(29)30-18-6-4-3-5-7-18)10-17(11-23-14)16-8-9-21-26-20(24-15(2)28)13-27(21)12-16/h8-13,18H,3-7H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyHQEPYFTVIURFOQ-UHFFFAOYSA-N
XLogP4.54
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate (CID 134203955) is cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate is CC(=O)Nc1cn2cc(-c3cnc(C)c(NC(=O)OC4CCCCC4)c3)ccc2n1.
What is the InChIKey of cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is HQEPYFTVIURFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-19(25-22(29)30-18-6-4-3-5-7-18)10-17(11-23-14)16-8-9-21-26-20(24-15(2)28)13-27(21)12-16/h8-13,18H,3-7H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate?
cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[5-(2-acetamidoimidazo[1,2-a]pyridin-6-yl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).