N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide

C25H19N5O2 — CID 58327718

About N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 58327718) has the molecular formula C25H19N5O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
• PubChem CID: 58327718
• Molecular Formula: C25H19N5O2
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.15
• IUPAC Name: N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
• SMILES: CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4cccc5ccccc45)c23)c1
• InChI: InChI=1S/C25H19N5O2/c1-15(31)29-17-8-5-9-18(12-17)30-25-22-21(13-26-24(22)27-14-28-25)23(32)20-11-4-7-16-6-2-3-10-19(16)20/h2-14H,1H3,(H,29,31)(H2,26,27,28,30)
• InChIKey: WBVXZAQLEPLQQZ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

The IUPAC name of N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide (CID 58327718) is N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide.

What is the SMILES notation for N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

The canonical SMILES for N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc3[nH]cc(C(=O)c4cccc5ccccc45)c23)c1.

What is the InChIKey of N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

The InChIKey is WBVXZAQLEPLQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O2/c1-15(31)29-17-8-5-9-18(12-17)30-25-22-21(13-26-24(22)27-14-28-25)23(32)20-11-4-7-16-6-2-3-10-19(16)20/h2-14H,1H3,(H,29,31)(H2,26,27,28,30).

What are the key properties of N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide?

N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 421.46 g/mol, XLogP of 5.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 58327718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).