N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide

C20H21ClF3N3O3 — CID 158930033

About N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide

N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide (PubChem CID 158930033) has the molecular formula C20H21ClF3N3O3 and a molecular weight of 443.85 g/mol. Its IUPAC name is N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide
• PubChem CID: 158930033
• Molecular Formula: C20H21ClF3N3O3
• Molecular Weight: 443.85 g/mol
• Exact Mass: 443.12
• IUPAC Name: N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide
• SMILES: CCC(=O)Nc1cc(C(=O)CC[C@H](C)Oc2ncc(C(F)(F)F)cc2Cl)cc(C)n1
• InChI: InChI=1S/C20H21ClF3N3O3/c1-4-18(29)27-17-8-13(7-11(2)26-17)16(28)6-5-12(3)30-19-15(21)9-14(10-25-19)20(22,23)24/h7-10,12H,4-6H2,1-3H3,(H,26,27,29)/t12-/m0/s1
• InChIKey: JIXZPSAOUGNHKN-LBPRGKRZSA-N
• XLogP: 5.24
• TPSA: 81.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.85
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide?

The IUPAC name of N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide (CID 158930033) is N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide.

What is the SMILES notation for N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide?

The canonical SMILES for N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide is CCC(=O)Nc1cc(C(=O)CC[C@H](C)Oc2ncc(C(F)(F)F)cc2Cl)cc(C)n1.

What is the InChIKey of N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide?

The InChIKey is JIXZPSAOUGNHKN-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H21ClF3N3O3/c1-4-18(29)27-17-8-13(7-11(2)26-17)16(28)6-5-12(3)30-19-15(21)9-14(10-25-19)20(22,23)24/h7-10,12H,4-6H2,1-3H3,(H,26,27,29)/t12-/m0/s1.

What are the key properties of N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide?

N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide has a molecular weight of 443.85 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4S)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]propanamide is sourced from PubChem (CID 158930033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).