N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

C26H21FN8O2 — CID 135256779

About N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide

N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 135256779) has the molecular formula C26H21FN8O2 and a molecular weight of 496.51 g/mol. Its IUPAC name is N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 135256779
• Molecular Formula: C26H21FN8O2
• Molecular Weight: 496.51 g/mol
• Exact Mass: 496.18
• IUPAC Name: N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2ccon2)nc(-c2ccc(C(=O)NCc3ccc(-c4ccc(F)nc4C)nc3)nc2)n1
• InChI: InChI=1S/C26H21FN8O2/c1-15-11-24(33-23-9-10-37-35-23)34-25(31-15)18-4-7-21(29-14-18)26(36)30-13-17-3-6-20(28-12-17)19-5-8-22(27)32-16(19)2/h3-12,14H,13H2,1-2H3,(H,30,36)(H,31,33,34,35)
• InChIKey: QYZQSSUQGWPKNA-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 131.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.51
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide (CID 135256779) is N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(Nc2ccon2)nc(-c2ccc(C(=O)NCc3ccc(-c4ccc(F)nc4C)nc3)nc2)n1.

What is the InChIKey of N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is QYZQSSUQGWPKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN8O2/c1-15-11-24(33-23-9-10-37-35-23)34-25(31-15)18-4-7-21(29-14-18)26(36)30-13-17-3-6-20(28-12-17)19-5-8-22(27)32-16(19)2/h3-12,14H,13H2,1-2H3,(H,30,36)(H,31,33,34,35).

What are the key properties of N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide?

N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 496.51 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[6-(6-fluoro-2-methyl-3-pyridinyl)-3-pyridinyl]methyl]-5-[4-methyl-6-(1,2-oxazol-3-ylamino)pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 135256779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).