2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide

C22H23Cl2N5O2 — CID 57028334

IUPAC2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)NN1CCCCC1
InChIInChI=1S/C22H23Cl2N5O2/c1-14-18(13-19(30)27-28-10-3-2-4-11-28)29-12-6-9-17(21(29)25-14)26-22(31)20-15(23)7-5-8-16(20)24/h5-9,12H,2-4,10-11,13H2,1H3,(H,26,31)(H,27,30)
InChIKeyLNJVUAZXNTYDAR-UHFFFAOYSA-N
MW460.37 g/mol
LogP4.26
Rot. Bonds5

About 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide

2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide (PubChem CID 57028334) has the molecular formula C22H23Cl2N5O2 and a molecular weight of 460.37 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
PubChem CID57028334
Molecular FormulaC22H23Cl2N5O2
Molecular Weight460.37 g/mol
Exact Mass459.12
IUPAC Name2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide
SMILESCc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)NN1CCCCC1
InChIInChI=1S/C22H23Cl2N5O2/c1-14-18(13-19(30)27-28-10-3-2-4-11-28)29-12-6-9-17(21(29)25-14)26-22(31)20-15(23)7-5-8-16(20)24/h5-9,12H,2-4,10-11,13H2,1H3,(H,26,31)(H,27,30)
InChIKeyLNJVUAZXNTYDAR-UHFFFAOYSA-N
XLogP4.26
TPSA78.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The IUPAC name of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide (CID 57028334) is 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide is Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1CC(=O)NN1CCCCC1.
What is the InChIKey of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
The InChIKey is LNJVUAZXNTYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O2/c1-14-18(13-19(30)27-28-10-3-2-4-11-28)29-12-6-9-17(21(29)25-14)26-22(31)20-15(23)7-5-8-16(20)24/h5-9,12H,2-4,10-11,13H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide?
2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide has a molecular weight of 460.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-methyl-3-[2-oxo-2-(piperidin-1-ylamino)ethyl]imidazo[1,2-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 57028334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).