N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine

C48H45Cl7N8O3 — CID 159198004

About N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine

N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine (PubChem CID 159198004) has the molecular formula C48H45Cl7N8O3 and a molecular weight of 1030.11 g/mol. Its IUPAC name is N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine.

Molecular Properties

• Compound Name: N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
• PubChem CID: 159198004
• Molecular Formula: C48H45Cl7N8O3
• Molecular Weight: 1030.11 g/mol
• Exact Mass: 1026.14
• IUPAC Name: N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine
• SMILES: CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)n1.CN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)n1.CN(Cc1ccccc1)Cc1cc(N)cc(Cl)n1.O=C(O)c1cc(Cl)cc(Cl)n1
• InChI: InChI=1S/C14H12Cl2N2O.C14H14Cl2N2.C14H16ClN3.C6H3Cl2NO2/c1-18(9-10-5-3-2-4-6-10)14(19)12-7-11(15)8-13(16)17-12;1-18(9-11-5-3-2-4-6-11)10-13-7-12(15)8-14(16)17-13;1-18(9-11-5-3-2-4-6-11)10-13-7-12(16)8-14(15)17-13;7-3-1-4(6(10)11)9-5(8)2-3/h2-8H,9H2,1H3;2-8H,9-10H2,1H3;2-8H,9-10H2,1H3,(H2,16,17);1-2H,(H,10,11)
• InChIKey: KOXJNMGKLBHJAO-UHFFFAOYSA-N
• XLogP: 12.72
• TPSA: 141.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1030.11
LogP ≤ 5	12.72
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-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?

The IUPAC name of N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine (CID 159198004) is N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine.

What is the SMILES notation for N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?

The canonical SMILES for N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine is CN(Cc1ccccc1)C(=O)c1cc(Cl)cc(Cl)n1.CN(Cc1ccccc1)Cc1cc(Cl)cc(Cl)n1.CN(Cc1ccccc1)Cc1cc(N)cc(Cl)n1.O=C(O)c1cc(Cl)cc(Cl)n1.

What is the InChIKey of N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?

The InChIKey is KOXJNMGKLBHJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O.C14H14Cl2N2.C14H16ClN3.C6H3Cl2NO2/c1-18(9-10-5-3-2-4-6-10)14(19)12-7-11(15)8-13(16)17-12;1-18(9-11-5-3-2-4-6-11)10-13-7-12(15)8-14(16)17-13;1-18(9-11-5-3-2-4-6-11)10-13-7-12(16)8-14(15)17-13;7-3-1-4(6(10)11)9-5(8)2-3/h2-8H,9H2,1H3;2-8H,9-10H2,1H3;2-8H,9-10H2,1H3,(H2,16,17);1-2H,(H,10,11).

What are the key properties of N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine?

N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine has a molecular weight of 1030.11 g/mol, XLogP of 12.72, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-4,6-dichloro-N-methylpyridine-2-carboxamide;2-[[benzyl(methyl)amino]methyl]-6-chloropyridin-4-amine;4,6-dichloropyridine-2-carboxylic acid;N-[(4,6-dichloro-2-pyridinyl)methyl]-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 159198004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).