N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C28H25N9O3 — CID 135256668

About N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256668) has the molecular formula C28H25N9O3 and a molecular weight of 535.57 g/mol. Its IUPAC name is N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 135256668
• Molecular Formula: C28H25N9O3
• Molecular Weight: 535.57 g/mol
• Exact Mass: 535.21
• IUPAC Name: N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2ccc(C(C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc[nH]c(=O)c5)n4)cn3)nn2)cn1
• InChI: InChI=1S/C28H25N9O3/c1-16-12-24(34-20-10-11-29-25(38)13-20)35-27(32-16)19-4-6-23(30-15-19)28(39)33-17(2)21-7-8-22(37-36-21)18-5-9-26(40-3)31-14-18/h4-15,17H,1-3H3,(H,33,39)(H2,29,32,34,35,38)
• InChIKey: BEZLHTIZXQEXLN-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 160.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.57
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256668) is N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is COc1ccc(-c2ccc(C(C)NC(=O)c3ccc(-c4nc(C)cc(Nc5cc[nH]c(=O)c5)n4)cn3)nn2)cn1.

What is the InChIKey of N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is BEZLHTIZXQEXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N9O3/c1-16-12-24(34-20-10-11-29-25(38)13-20)35-27(32-16)19-4-6-23(30-15-19)28(39)33-17(2)21-7-8-22(37-36-21)18-5-9-26(40-3)31-14-18/h4-15,17H,1-3H3,(H,33,39)(H2,29,32,34,35,38).

What are the key properties of N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 535.57 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-(6-methoxy-3-pyridinyl)pyridazin-3-yl]ethyl]-5-[4-methyl-6-[(2-oxo-1H-pyridin-4-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).