1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide

C26H24N6O2 — CID 67973401

About 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide (PubChem CID 67973401) has the molecular formula C26H24N6O2 and a molecular weight of 452.52 g/mol. Its IUPAC name is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide
• PubChem CID: 67973401
• Molecular Formula: C26H24N6O2
• Molecular Weight: 452.52 g/mol
• Exact Mass: 452.20
• IUPAC Name: 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide
• SMILES: COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1
• InChI: InChI=1S/C26H24N6O2/c1-34-23-10-6-19(14-29-23)18-5-9-22(28-13-18)32-24(33)26(11-2-12-26)21-7-3-17(4-8-21)20-15-30-25(27)31-16-20/h3-10,13-16H,2,11-12H2,1H3,(H2,27,30,31)(H,28,32,33)
• InChIKey: NDAHISCZOJCAAJ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 115.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.52
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide?

The IUPAC name of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide (CID 67973401) is 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide.

What is the SMILES notation for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide?

The canonical SMILES for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide is COc1ccc(-c2ccc(NC(=O)C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)nc2)cn1.

What is the InChIKey of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide?

The InChIKey is NDAHISCZOJCAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O2/c1-34-23-10-6-19(14-29-23)18-5-9-22(28-13-18)32-24(33)26(11-2-12-26)21-7-3-17(4-8-21)20-15-30-25(27)31-16-20/h3-10,13-16H,2,11-12H2,1H3,(H2,27,30,31)(H,28,32,33).

What are the key properties of 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide?

1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[5-(6-methoxy-3-pyridinyl)-2-pyridinyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 67973401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).