N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide

C25H25N5O3 — CID 170055162

About N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 170055162) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
• PubChem CID: 170055162
• Molecular Formula: C25H25N5O3
• Molecular Weight: 443.51 g/mol
• Exact Mass: 443.20
• IUPAC Name: N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(Oc2ccc3nc(-c4ccc(NC(C)C)n(C)c4=O)ccc3c2)ccn1
• InChI: InChI=1S/C25H25N5O3/c1-15(2)27-24-10-7-20(25(32)30(24)4)22-8-5-17-13-18(6-9-21(17)29-22)33-19-11-12-26-23(14-19)28-16(3)31/h5-15,27H,1-4H3,(H,26,28,31)
• InChIKey: ISNVPRPTGGBAPK-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 98.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.51
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide (CID 170055162) is N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(-c4ccc(NC(C)C)n(C)c4=O)ccc3c2)ccn1.

What is the InChIKey of N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?

The InChIKey is ISNVPRPTGGBAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15(2)27-24-10-7-20(25(32)30(24)4)22-8-5-17-13-18(6-9-21(17)29-22)33-19-11-12-26-23(14-19)28-16(3)31/h5-15,27H,1-4H3,(H,26,28,31).

What are the key properties of N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?

N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 443.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[1-methyl-2-oxo-6-(propan-2-ylamino)-3-pyridinyl]quinolin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170055162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).