3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide

C27H21ClN4O2 — CID 58236484

IUPAC3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C27H21ClN4O2/c1-17-14-24(34-22-11-7-20(28)8-12-22)25(29-15-17)27(33)30-21-9-5-19(6-10-21)23-16-32-13-3-4-18(2)26(32)31-23/h3-16H,1-2H3,(H,30,33)
InChIKeyBHNYNNLIDVPRMF-UHFFFAOYSA-N
MW468.94 g/mol
LogP6.71
Rot. Bonds5

About 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide

3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58236484) has the molecular formula C27H21ClN4O2 and a molecular weight of 468.94 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
PubChem CID58236484
Molecular FormulaC27H21ClN4O2
Molecular Weight468.94 g/mol
Exact Mass468.14
IUPAC Name3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C27H21ClN4O2/c1-17-14-24(34-22-11-7-20(28)8-12-22)25(29-15-17)27(33)30-21-9-5-19(6-10-21)23-16-32-13-3-4-18(2)26(32)31-23/h3-16H,1-2H3,(H,30,33)
InChIKeyBHNYNNLIDVPRMF-UHFFFAOYSA-N
XLogP6.71
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.94
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58236484) is 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Oc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is BHNYNNLIDVPRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN4O2/c1-17-14-24(34-22-11-7-20(28)8-12-22)25(29-15-17)27(33)30-21-9-5-19(6-10-21)23-16-32-13-3-4-18(2)26(32)31-23/h3-16H,1-2H3,(H,30,33).
What are the key properties of 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?
3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 468.94 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58236484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).