2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide

C30H28N6O4 — CID 71260881

About 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide

2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide (PubChem CID 71260881) has the molecular formula C30H28N6O4 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 71260881
• Molecular Formula: C30H28N6O4
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.22
• IUPAC Name: 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
• SMILES: COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1
• InChI: InChI=1S/C30H28N6O4/c1-19-8-10-21(11-9-19)36-28(16-20(2)35-36)34-30(38)32-25-12-13-26(24-7-5-4-6-23(24)25)40-22-14-15-31-27(17-22)33-29(37)18-39-3/h4-17H,18H2,1-3H3,(H,31,33,37)(H2,32,34,38)
• InChIKey: FFPVOYWMYSZFOR-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 119.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.59
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide (CID 71260881) is 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide is COCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1.

What is the InChIKey of 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is FFPVOYWMYSZFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O4/c1-19-8-10-21(11-9-19)36-28(16-20(2)35-36)34-30(38)32-25-12-13-26(24-7-5-4-6-23(24)25)40-22-14-15-31-27(17-22)33-29(37)18-39-3/h4-17H,18H2,1-3H3,(H,31,33,37)(H2,32,34,38).

What are the key properties of 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide?

2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 536.59 g/mol, XLogP of 6.06, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 71260881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).