N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide

C30H34F3N5O2 — CID 160578842

About N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide

N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide (PubChem CID 160578842) has the molecular formula C30H34F3N5O2 and a molecular weight of 553.63 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide.

Molecular Properties

• Compound Name: N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide
• PubChem CID: 160578842
• Molecular Formula: C30H34F3N5O2
• Molecular Weight: 553.63 g/mol
• Exact Mass: 553.27
• IUPAC Name: N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide
• SMILES: Cc1ccc(-n2ncc(C(=O)Cc3cnc(C4=CCC(N(C)C(=O)C(C)(C)C)CC4)c(C(F)(F)F)c3)c2C)nc1
• InChI: InChI=1S/C30H34F3N5O2/c1-18-7-12-26(34-15-18)38-19(2)23(17-36-38)25(39)14-20-13-24(30(31,32)33)27(35-16-20)21-8-10-22(11-9-21)37(6)28(40)29(3,4)5/h7-8,12-13,15-17,22H,9-11,14H2,1-6H3
• InChIKey: RBMVBQXSKKBJPB-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 80.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.63
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide?

The IUPAC name of N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide (CID 160578842) is N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide.

What is the SMILES notation for N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide?

The canonical SMILES for N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide is Cc1ccc(-n2ncc(C(=O)Cc3cnc(C4=CCC(N(C)C(=O)C(C)(C)C)CC4)c(C(F)(F)F)c3)c2C)nc1.

What is the InChIKey of N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide?

The InChIKey is RBMVBQXSKKBJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F3N5O2/c1-18-7-12-26(34-15-18)38-19(2)23(17-36-38)25(39)14-20-13-24(30(31,32)33)27(35-16-20)21-8-10-22(11-9-21)37(6)28(40)29(3,4)5/h7-8,12-13,15-17,22H,9-11,14H2,1-6H3.

What are the key properties of N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide?

N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide has a molecular weight of 553.63 g/mol, XLogP of 6.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,2,2-trimethyl-N-[4-[5-[2-[5-methyl-1-(5-methyl-2-pyridinyl)pyrazol-4-yl]-2-oxoethyl]-3-(trifluoromethyl)-2-pyridinyl]cyclohex-3-en-1-yl]propanamide is sourced from PubChem (CID 160578842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).