N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide

C35H38N6O4 — CID 143967329

About N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide

N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide (PubChem CID 143967329) has the molecular formula C35H38N6O4 and a molecular weight of 606.73 g/mol. Its IUPAC name is N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide.

Molecular Properties

• Compound Name: N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide
• PubChem CID: 143967329
• Molecular Formula: C35H38N6O4
• Molecular Weight: 606.73 g/mol
• Exact Mass: 606.30
• IUPAC Name: N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide
• SMILES: CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(NC(=O)C(C)OC)c3)c3ccccc23)n(-c2ccc(C)cc2)n1
• InChI: InChI=1S/C35H38N6O4/c1-5-6-9-26-21-33(41(40-26)27-14-12-23(2)13-15-27)39-35(43)37-30-16-17-31(29-11-8-7-10-28(29)30)45-22-25-18-19-36-32(20-25)38-34(42)24(3)44-4/h7-8,10-21,24H,5-6,9,22H2,1-4H3,(H,36,38,42)(H2,37,39,43)
• InChIKey: SXLJGOHZMHODPI-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 119.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.73
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide?

The IUPAC name of N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide (CID 143967329) is N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide.

What is the SMILES notation for N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide?

The canonical SMILES for N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide is CCCCc1cc(NC(=O)Nc2ccc(OCc3ccnc(NC(=O)C(C)OC)c3)c3ccccc23)n(-c2ccc(C)cc2)n1.

What is the InChIKey of N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide?

The InChIKey is SXLJGOHZMHODPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38N6O4/c1-5-6-9-26-21-33(41(40-26)27-14-12-23(2)13-15-27)39-35(43)37-30-16-17-31(29-11-8-7-10-28(29)30)45-22-25-18-19-36-32(20-25)38-34(42)24(3)44-4/h7-8,10-21,24H,5-6,9,22H2,1-4H3,(H,36,38,42)(H2,37,39,43).

What are the key properties of N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide?

N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide has a molecular weight of 606.73 g/mol, XLogP of 7.27, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-[[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxymethyl]-2-pyridinyl]-2-methoxypropanamide is sourced from PubChem (CID 143967329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).