3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide

C25H25N5O3 — CID 56514342

About 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide

3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide (PubChem CID 56514342) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide.

Molecular Properties

• Compound Name: 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
• PubChem CID: 56514342
• Molecular Formula: C25H25N5O3
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.20
• IUPAC Name: 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide
• SMILES: Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCNC(=O)N(C)Cc1ccccc1
• InChI: InChI=1S/C25H25N5O3/c1-18-15-21(33-24-20(16-26)9-6-13-27-24)10-11-22(18)29-23(31)12-14-28-25(32)30(2)17-19-7-4-3-5-8-19/h3-11,13,15H,12,14,17H2,1-2H3,(H,28,32)(H,29,31)
• InChIKey: PVRIIAFKWYKYIB-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 107.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

The IUPAC name of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide (CID 56514342) is 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide.

What is the SMILES notation for 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

The canonical SMILES for 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide is Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)CCNC(=O)N(C)Cc1ccccc1.

What is the InChIKey of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

The InChIKey is PVRIIAFKWYKYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-18-15-21(33-24-20(16-26)9-6-13-27-24)10-11-22(18)29-23(31)12-14-28-25(32)30(2)17-19-7-4-3-5-8-19/h3-11,13,15H,12,14,17H2,1-2H3,(H,28,32)(H,29,31).

What are the key properties of 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide?

3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide has a molecular weight of 443.51 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[benzyl(methyl)carbamoyl]amino]-N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]propanamide is sourced from PubChem (CID 56514342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).