5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide

C28H23ClN4O — CID 25225135

About 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide

5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 25225135) has the molecular formula C28H23ClN4O and a molecular weight of 466.97 g/mol. Its IUPAC name is 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
• PubChem CID: 25225135
• Molecular Formula: C28H23ClN4O
• Molecular Weight: 466.97 g/mol
• Exact Mass: 466.16
• IUPAC Name: 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide
• SMILES: Cc1cc(Cl)cc(-c2cnc(-c3cnn(C)c3)c(C(=O)NCc3ccc4ccccc4c3)c2)c1
• InChI: InChI=1S/C28H23ClN4O/c1-18-9-22(12-25(29)10-18)23-13-26(27(30-15-23)24-16-32-33(2)17-24)28(34)31-14-19-7-8-20-5-3-4-6-21(20)11-19/h3-13,15-17H,14H2,1-2H3,(H,31,34)
• InChIKey: BGHMNXDXPMYMKJ-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 59.81 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	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?

The IUPAC name of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide (CID 25225135) is 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(Cl)cc(-c2cnc(-c3cnn(C)c3)c(C(=O)NCc3ccc4ccccc4c3)c2)c1.

What is the InChIKey of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?

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

What are the key properties of 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide?

5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 6.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chloro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-N-(naphthalen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25225135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).