5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide

C22H19ClFN5O2 — CID 175867565

About 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide

5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 175867565) has the molecular formula C22H19ClFN5O2 and a molecular weight of 439.88 g/mol. Its IUPAC name is 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide
• PubChem CID: 175867565
• Molecular Formula: C22H19ClFN5O2
• Molecular Weight: 439.88 g/mol
• Exact Mass: 439.12
• IUPAC Name: 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide
• SMILES: CCc1cc(F)ccc1Nc1nc(C#N)c(Cl)cc1C(=O)Nc1ccc(OC)nc1C
• InChI: InChI=1S/C22H19ClFN5O2/c1-4-13-9-14(24)5-6-18(13)27-21-15(10-16(23)19(11-25)28-21)22(30)29-17-7-8-20(31-3)26-12(17)2/h5-10H,4H2,1-3H3,(H,27,28)(H,29,30)
• InChIKey: PWZRBGRJQVZVBB-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 99.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	439.88
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide?

The IUPAC name of 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 175867565) is 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide is CCc1cc(F)ccc1Nc1nc(C#N)c(Cl)cc1C(=O)Nc1ccc(OC)nc1C.

What is the InChIKey of 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide?

The InChIKey is PWZRBGRJQVZVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5O2/c1-4-13-9-14(24)5-6-18(13)27-21-15(10-16(23)19(11-25)28-21)22(30)29-17-7-8-20(31-3)26-12(17)2/h5-10H,4H2,1-3H3,(H,27,28)(H,29,30).

What are the key properties of 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide?

5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 439.88 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-cyano-2-(2-ethyl-4-fluoroanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 175867565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).