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

C22H19ClN4O2 — CID 70741479

IUPAC2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(-c2ccccc2Cl)nc2cc(C(=O)NCCc3ccc(O)cc3)cnc21
InChIInChI=1S/C22H19ClN4O2/c1-27-20(17-4-2-3-5-18(17)23)26-19-12-15(13-25-21(19)27)22(29)24-11-10-14-6-8-16(28)9-7-14/h2-9,12-13,28H,10-11H2,1H3,(H,24,29)
InChIKeyBMANCLAXMIMNDU-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.97
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 70741479) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
PubChem CID70741479
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC Name2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide
SMILESCn1c(-c2ccccc2Cl)nc2cc(C(=O)NCCc3ccc(O)cc3)cnc21
InChIInChI=1S/C22H19ClN4O2/c1-27-20(17-4-2-3-5-18(17)23)26-19-12-15(13-25-21(19)27)22(29)24-11-10-14-6-8-16(28)9-7-14/h2-9,12-13,28H,10-11H2,1H3,(H,24,29)
InChIKeyBMANCLAXMIMNDU-UHFFFAOYSA-N
XLogP3.97
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide (CID 70741479) is 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is Cn1c(-c2ccccc2Cl)nc2cc(C(=O)NCCc3ccc(O)cc3)cnc21.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is BMANCLAXMIMNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27-20(17-4-2-3-5-18(17)23)26-19-12-15(13-25-21(19)27)22(29)24-11-10-14-6-8-16(28)9-7-14/h2-9,12-13,28H,10-11H2,1H3,(H,24,29).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide?
2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 406.87 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3-methylimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 70741479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).