2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine

C30H32FN5O2 — CID 168929774

About 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine

2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine (PubChem CID 168929774) has the molecular formula C30H32FN5O2 and a molecular weight of 513.62 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine.

Molecular Properties

• Compound Name: 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
• PubChem CID: 168929774
• Molecular Formula: C30H32FN5O2
• Molecular Weight: 513.62 g/mol
• Exact Mass: 513.25
• IUPAC Name: 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine
• SMILES: CNC.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(C)c(-c2ccnc(C=O)c2)c1
• InChI: InChI=1S/C28H25FN4O2.C2H7N/c1-17-5-6-22(33-27(35)20-8-10-31-26(13-20)28(3,4)29)14-24(17)21-12-25(18(2)32-15-21)19-7-9-30-23(11-19)16-34;1-3-2/h5-16H,1-4H3,(H,33,35);3H,1-2H3
• InChIKey: OMIBFLJDQUGPLS-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 96.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	513.62
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine?

The IUPAC name of 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine (CID 168929774) is 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine.

What is the SMILES notation for 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine?

The canonical SMILES for 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine is CNC.Cc1ccc(NC(=O)c2ccnc(C(C)(C)F)c2)cc1-c1cnc(C)c(-c2ccnc(C=O)c2)c1.

What is the InChIKey of 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine?

The InChIKey is OMIBFLJDQUGPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25FN4O2.C2H7N/c1-17-5-6-22(33-27(35)20-8-10-31-26(13-20)28(3,4)29)14-24(17)21-12-25(18(2)32-15-21)19-7-9-30-23(11-19)16-34;1-3-2/h5-16H,1-4H3,(H,33,35);3H,1-2H3.

What are the key properties of 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine?

2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine has a molecular weight of 513.62 g/mol, XLogP of 5.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-fluoropropan-2-yl)-N-[3-[5-(2-formyl-4-pyridinyl)-6-methyl-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-methylmethanamine is sourced from PubChem (CID 168929774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).