N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

C29H26N8O2 — CID 135256734

About N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256734) has the molecular formula C29H26N8O2 and a molecular weight of 518.58 g/mol. Its IUPAC name is N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 135256734
• Molecular Formula: C29H26N8O2
• Molecular Weight: 518.58 g/mol
• Exact Mass: 518.22
• IUPAC Name: N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: COc1ccc(-c2ccc(CNC(=O)c3ccc(-c4ncc(C)c(Nc5cccnc5)n4)c(C)n3)cn2)cn1
• InChI: InChI=1S/C29H26N8O2/c1-18-13-33-28(37-27(18)36-22-5-4-12-30-17-22)23-8-10-25(35-19(23)2)29(38)34-15-20-6-9-24(31-14-20)21-7-11-26(39-3)32-16-21/h4-14,16-17H,15H2,1-3H3,(H,34,38)(H,33,36,37)
• InChIKey: DRRVHQAERJCYAJ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 127.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.58
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256734) is N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide is COc1ccc(-c2ccc(CNC(=O)c3ccc(-c4ncc(C)c(Nc5cccnc5)n4)c(C)n3)cn2)cn1.

What is the InChIKey of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is DRRVHQAERJCYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8O2/c1-18-13-33-28(37-27(18)36-22-5-4-12-30-17-22)23-8-10-25(35-19(23)2)29(38)34-15-20-6-9-24(31-14-20)21-7-11-26(39-3)32-16-21/h4-14,16-17H,15H2,1-3H3,(H,34,38)(H,33,36,37).

What are the key properties of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 518.58 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-6-methyl-5-[5-methyl-4-(pyridin-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).