5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide

C22H26BrClN2O2 — CID 58307480

About 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide

5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide (PubChem CID 58307480) has the molecular formula C22H26BrClN2O2 and a molecular weight of 465.82 g/mol. Its IUPAC name is 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
• PubChem CID: 58307480
• Molecular Formula: C22H26BrClN2O2
• Molecular Weight: 465.82 g/mol
• Exact Mass: 464.09
• IUPAC Name: 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide
• SMILES: CCCCn1c(C)c(C(=O)N[C@H](c2cccc(Cl)c2)C2CC2)c(C)c(Br)c1=O
• InChI: InChI=1S/C22H26BrClN2O2/c1-4-5-11-26-14(3)18(13(2)19(23)22(26)28)21(27)25-20(15-9-10-15)16-7-6-8-17(24)12-16/h6-8,12,15,20H,4-5,9-11H2,1-3H3,(H,25,27)/t20-/m0/s1
• InChIKey: HUTFZYOTBGNJOK-FQEVSTJZSA-N
• XLogP: 5.56
• TPSA: 51.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.82
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide (CID 58307480) is 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide is CCCCn1c(C)c(C(=O)N[C@H](c2cccc(Cl)c2)C2CC2)c(C)c(Br)c1=O.

What is the InChIKey of 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide?

The InChIKey is HUTFZYOTBGNJOK-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26BrClN2O2/c1-4-5-11-26-14(3)18(13(2)19(23)22(26)28)21(27)25-20(15-9-10-15)16-7-6-8-17(24)12-16/h6-8,12,15,20H,4-5,9-11H2,1-3H3,(H,25,27)/t20-/m0/s1.

What are the key properties of 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide?

5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide has a molecular weight of 465.82 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-butyl-N-[(S)-(3-chlorophenyl)-cyclopropylmethyl]-2,4-dimethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 58307480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).