3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

C21H21Cl2N5O2 — CID 112768774

About 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (PubChem CID 112768774) has the molecular formula C21H21Cl2N5O2 and a molecular weight of 446.34 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
• PubChem CID: 112768774
• Molecular Formula: C21H21Cl2N5O2
• Molecular Weight: 446.34 g/mol
• Exact Mass: 445.11
• IUPAC Name: 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)n2)n1
• InChI: InChI=1S/C21H21Cl2N5O2/c1-13-11-14(2)28(26-13)19-6-4-16(23)20(25-19)21(29)24-17-12-15(22)3-5-18(17)27-7-9-30-10-8-27/h3-6,11-12H,7-10H2,1-2H3,(H,24,29)
• InChIKey: OCZBPNNOAJWYPM-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.34
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?

The IUPAC name of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide (CID 112768774) is 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide.

What is the SMILES notation for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?

The canonical SMILES for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)n2)n1.

What is the InChIKey of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?

The InChIKey is OCZBPNNOAJWYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl2N5O2/c1-13-11-14(2)28(26-13)19-6-4-16(23)20(25-19)21(29)24-17-12-15(22)3-5-18(17)27-7-9-30-10-8-27/h3-6,11-12H,7-10H2,1-2H3,(H,24,29).

What are the key properties of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide?

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide has a molecular weight of 446.34 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 112768774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).