N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

C24H17Cl2F3N6O3 — CID 70840797

About N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide

N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 70840797) has the molecular formula C24H17Cl2F3N6O3 and a molecular weight of 565.34 g/mol. Its IUPAC name is N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• PubChem CID: 70840797
• Molecular Formula: C24H17Cl2F3N6O3
• Molecular Weight: 565.34 g/mol
• Exact Mass: 564.07
• IUPAC Name: N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
• SMILES: CNC(=O)CNC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl
• InChI: InChI=1S/C24H17Cl2F3N6O3/c1-30-18(36)11-32-22(37)14-9-12-5-2-3-6-13(12)19(26)20(14)33-23(38)16-10-17(24(27,28)29)34-35(16)21-15(25)7-4-8-31-21/h2-10H,11H2,1H3,(H,30,36)(H,32,37)(H,33,38)
• InChIKey: MKQUMKVCSNBHTB-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 118.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.34
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The IUPAC name of N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 70840797) is N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is CNC(=O)CNC(=O)c1cc2ccccc2c(Cl)c1NC(=O)c1cc(C(F)(F)F)nn1-c1ncccc1Cl.

What is the InChIKey of N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

The InChIKey is MKQUMKVCSNBHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2F3N6O3/c1-30-18(36)11-32-22(37)14-9-12-5-2-3-6-13(12)19(26)20(14)33-23(38)16-10-17(24(27,28)29)34-35(16)21-15(25)7-4-8-31-21/h2-10H,11H2,1H3,(H,30,36)(H,32,37)(H,33,38).

What are the key properties of N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide?

N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 565.34 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-chloro-3-[[2-(methylamino)-2-oxoethyl]carbamoyl]naphthalen-2-yl]-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 70840797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).