6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide

C24H20ClF2N5O2 — CID 166131002

About 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide

6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide (PubChem CID 166131002) has the molecular formula C24H20ClF2N5O2 and a molecular weight of 483.91 g/mol. Its IUPAC name is 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
• PubChem CID: 166131002
• Molecular Formula: C24H20ClF2N5O2
• Molecular Weight: 483.91 g/mol
• Exact Mass: 483.13
• IUPAC Name: 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide
• SMILES: CC(=O)N(CC(F)F)c1ccc(-c2ccc(C(=O)NCCc3ccc(C#N)nc3)cn2)cc1Cl
• InChI: InChI=1S/C24H20ClF2N5O2/c1-15(33)32(14-23(26)27)22-7-4-17(10-20(22)25)21-6-3-18(13-31-21)24(34)29-9-8-16-2-5-19(11-28)30-12-16/h2-7,10,12-13,23H,8-9,14H2,1H3,(H,29,34)
• InChIKey: BMSNQESZODJPSR-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.91
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?

The IUPAC name of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide (CID 166131002) is 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide is CC(=O)N(CC(F)F)c1ccc(-c2ccc(C(=O)NCCc3ccc(C#N)nc3)cn2)cc1Cl.

What is the InChIKey of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?

The InChIKey is BMSNQESZODJPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClF2N5O2/c1-15(33)32(14-23(26)27)22-7-4-17(10-20(22)25)21-6-3-18(13-31-21)24(34)29-9-8-16-2-5-19(11-28)30-12-16/h2-7,10,12-13,23H,8-9,14H2,1H3,(H,29,34).

What are the key properties of 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide?

6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide has a molecular weight of 483.91 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-[2-(6-cyano-3-pyridinyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 166131002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).