N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide

C18H18ClN5O2 — CID 70723835

IUPACN-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C18H18ClN5O2/c1-11(25)20-7-8-21-18(26)12-9-15-17(22-10-12)24(2)16(23-15)13-5-3-4-6-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyWKSQRRIRHSRGLV-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.15
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide

N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70723835) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70723835
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(=O)NCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C
InChIInChI=1S/C18H18ClN5O2/c1-11(25)20-7-8-21-18(26)12-9-15-17(22-10-12)24(2)16(23-15)13-5-3-4-6-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyWKSQRRIRHSRGLV-UHFFFAOYSA-N
XLogP2.15
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 70723835) is N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide is CC(=O)NCCNC(=O)c1cnc2c(c1)nc(-c1ccccc1Cl)n2C.
What is the InChIKey of N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is WKSQRRIRHSRGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c1-11(25)20-7-8-21-18(26)12-9-15-17(22-10-12)24(2)16(23-15)13-5-3-4-6-14(13)19/h3-6,9-10H,7-8H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(2-chlorophenyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70723835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).