2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine

C26H32Cl3N5O — CID 160665370

About 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine

2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine (PubChem CID 160665370) has the molecular formula C26H32Cl3N5O and a molecular weight of 536.94 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
• PubChem CID: 160665370
• Molecular Formula: C26H32Cl3N5O
• Molecular Weight: 536.94 g/mol
• Exact Mass: 535.17
• IUPAC Name: 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine
• SMILES: Cc1cnc(C(C)(C)CN)c(Cl)c1.Cc1cnc(C(C)(C)CNC(=O)c2cccnc2Cl)c(Cl)c1
• InChI: InChI=1S/C16H17Cl2N3O.C10H15ClN2/c1-10-7-12(17)13(20-8-10)16(2,3)9-21-15(22)11-5-4-6-19-14(11)18;1-7-4-8(11)9(13-5-7)10(2,3)6-12/h4-8H,9H2,1-3H3,(H,21,22);4-5H,6,12H2,1-3H3
• InChIKey: RMFKSXCTVBKDDA-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.94
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?

The IUPAC name of 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine (CID 160665370) is 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine.

What is the SMILES notation for 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?

The canonical SMILES for 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine is Cc1cnc(C(C)(C)CN)c(Cl)c1.Cc1cnc(C(C)(C)CNC(=O)c2cccnc2Cl)c(Cl)c1.

What is the InChIKey of 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?

The InChIKey is RMFKSXCTVBKDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O.C10H15ClN2/c1-10-7-12(17)13(20-8-10)16(2,3)9-21-15(22)11-5-4-6-19-14(11)18;1-7-4-8(11)9(13-5-7)10(2,3)6-12/h4-8H,9H2,1-3H3,(H,21,22);4-5H,6,12H2,1-3H3.

What are the key properties of 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine?

2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine has a molecular weight of 536.94 g/mol, XLogP of 6.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-[2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropyl]pyridine-3-carboxamide;2-(3-chloro-5-methyl-2-pyridinyl)-2-methylpropan-1-amine is sourced from PubChem (CID 160665370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).