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

C28H23ClN4O — CID 58236491

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

3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide (PubChem CID 58236491) has the molecular formula C28H23ClN4O and a molecular weight of 466.97 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• PubChem CID: 58236491
• Molecular Formula: C28H23ClN4O
• Molecular Weight: 466.97 g/mol
• Exact Mass: 466.16
• IUPAC Name: 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide
• SMILES: Cc1cnc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
• InChI: InChI=1S/C28H23ClN4O/c1-18-14-22(15-20-5-9-23(29)10-6-20)26(30-16-18)28(34)31-24-11-7-21(8-12-24)25-17-33-13-3-4-19(2)27(33)32-25/h3-14,16-17H,15H2,1-2H3,(H,31,34)
• InChIKey: GRFKSSJBMNQENE-UHFFFAOYSA-N
• XLogP: 6.51
• TPSA: 59.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.97
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?

The IUPAC name of 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide (CID 58236491) is 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?

The canonical SMILES for 3-[(4-chlorophenyl)methyl]-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(Cc2ccc(Cl)cc2)c1.

What is the InChIKey of 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?

The InChIKey is GRFKSSJBMNQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O/c1-18-14-22(15-20-5-9-23(29)10-6-20)26(30-16-18)28(34)31-24-11-7-21(8-12-24)25-17-33-13-3-4-19(2)27(33)32-25/h3-14,16-17H,15H2,1-2H3,(H,31,34).

What are the key properties of 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide?

3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 6.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(4-chlorophenyl)methyl]-5-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 58236491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).