3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide

C23H20ClN5O — CID 112768765

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide (PubChem CID 112768765) has the molecular formula C23H20ClN5O and a molecular weight of 417.90 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
• PubChem CID: 112768765
• Molecular Formula: C23H20ClN5O
• Molecular Weight: 417.90 g/mol
• Exact Mass: 417.14
• IUPAC Name: 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Cc4ccncc4)cc3)n2)n1
• InChI: InChI=1S/C23H20ClN5O/c1-15-13-16(2)29(28-15)21-8-7-20(24)22(27-21)23(30)26-19-5-3-17(4-6-19)14-18-9-11-25-12-10-18/h3-13H,14H2,1-2H3,(H,26,30)
• InChIKey: KNXHFWYUDBBSJV-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.90
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?

The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide (CID 112768765) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3ccc(Cc4ccncc4)cc3)n2)n1.

What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?

The InChIKey is KNXHFWYUDBBSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O/c1-15-13-16(2)29(28-15)21-8-7-20(24)22(27-21)23(30)26-19-5-3-17(4-6-19)14-18-9-11-25-12-10-18/h3-13H,14H2,1-2H3,(H,26,30).

What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide?

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 417.90 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 112768765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).