N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide

C27H24N10O3 — CID 135256713

About N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256713) has the molecular formula C27H24N10O3 and a molecular weight of 536.56 g/mol. Its IUPAC name is N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 135256713
• Molecular Formula: C27H24N10O3
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.20
• IUPAC Name: N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: C/N=C/c1nc(Nc2cc(C)nc(-c3ccc(C(=O)NCc4ccc(-c5ccc(OC)nc5)nc4)nc3)n2)no1
• InChI: InChI=1S/C27H24N10O3/c1-16-10-22(35-27-36-24(15-28-2)40-37-27)34-25(33-16)19-5-8-21(30-14-19)26(38)32-12-17-4-7-20(29-11-17)18-6-9-23(39-3)31-13-18/h4-11,13-15H,12H2,1-3H3,(H,32,38)(H,33,34,35,37)/b28-15+
• InChIKey: ATSAXRGSQFGUGR-RWPZCVJISA-N
• XLogP: 3.42
• TPSA: 166.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256713) is N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide is C/N=C/c1nc(Nc2cc(C)nc(-c3ccc(C(=O)NCc4ccc(-c5ccc(OC)nc5)nc4)nc3)n2)no1.

What is the InChIKey of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is ATSAXRGSQFGUGR-RWPZCVJISA-N. The full InChI is InChI=1S/C27H24N10O3/c1-16-10-22(35-27-36-24(15-28-2)40-37-27)34-25(33-16)19-5-8-21(30-14-19)26(38)32-12-17-4-7-20(29-11-17)18-6-9-23(39-3)31-13-18/h4-11,13-15H,12H2,1-3H3,(H,32,38)(H,33,34,35,37)/b28-15+.

What are the key properties of N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide?

N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 3.42, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(6-methoxy-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-[[5-(methyliminomethyl)-1,2,4-oxadiazol-3-yl]amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).