2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate

C73H97Cl3N12O10 — CID 158231478

About 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate

2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 158231478) has the molecular formula C73H97Cl3N12O10 and a molecular weight of 1409.01 g/mol. Its IUPAC name is 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate
• PubChem CID: 158231478
• Molecular Formula: C73H97Cl3N12O10
• Molecular Weight: 1409.01 g/mol
• Exact Mass: 1406.65
• IUPAC Name: 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate
• SMILES: CCC[C@@H](NC1CCN(Cc2ccc(Cl)c(C)c2)CC1)C(=O)OC.COC(=O)[C@H]1CCC(=O)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1.Cc1cc(C(=O)N(C)C)cc(Cl)n1.Cc1cc(C(=O)N(C)C)cc(N)n1.Cc1cc(C(=O)N(C)C)cc(NCc2ccccc2)n1.O=C=O
• InChI: InChI=1S/C19H25ClN2O3.C19H29ClN2O2.C16H19N3O.C9H11ClN2O.C9H13N3O.CO2/c1-13-11-14(3-4-16(13)20)12-21-9-7-15(8-10-21)22-17(19(24)25-2)5-6-18(22)23;1-4-5-18(19(23)24-3)21-16-8-10-22(11-9-16)13-15-6-7-17(20)14(2)12-15;1-12-9-14(16(20)19(2)3)10-15(18-12)17-11-13-7-5-4-6-8-13;2*1-6-4-7(5-8(10)11-6)9(13)12(2)3;2-1-3/h3-4,11,15,17H,5-10,12H2,1-2H3;6-7,12,16,18,21H,4-5,8-11,13H2,1-3H3;4-10H,11H2,1-3H3,(H,17,18);4-5H,1-3H3;4-5H,1-3H3,(H2,10,11);/t17-;18-;;;;/m11..../s1
• InChIKey: GEKWVLODCOBWLG-ODDFLGTISA-N
• XLogP: 10.86
• TPSA: 263.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1409.01
LogP ≤ 5	10.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate?

The IUPAC name of 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate (CID 158231478) is 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate.

What is the SMILES notation for 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate?

The canonical SMILES for 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate is CCC[C@@H](NC1CCN(Cc2ccc(Cl)c(C)c2)CC1)C(=O)OC.COC(=O)[C@H]1CCC(=O)N1C1CCN(Cc2ccc(Cl)c(C)c2)CC1.Cc1cc(C(=O)N(C)C)cc(Cl)n1.Cc1cc(C(=O)N(C)C)cc(N)n1.Cc1cc(C(=O)N(C)C)cc(NCc2ccccc2)n1.O=C=O.

What is the InChIKey of 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate?

The InChIKey is GEKWVLODCOBWLG-ODDFLGTISA-N. The full InChI is InChI=1S/C19H25ClN2O3.C19H29ClN2O2.C16H19N3O.C9H11ClN2O.C9H13N3O.CO2/c1-13-11-14(3-4-16(13)20)12-21-9-7-15(8-10-21)22-17(19(24)25-2)5-6-18(22)23;1-4-5-18(19(23)24-3)21-16-8-10-22(11-9-16)13-15-6-7-17(20)14(2)12-15;1-12-9-14(16(20)19(2)3)10-15(18-12)17-11-13-7-5-4-6-8-13;2*1-6-4-7(5-8(10)11-6)9(13)12(2)3;2-1-3/h3-4,11,15,17H,5-10,12H2,1-2H3;6-7,12,16,18,21H,4-5,8-11,13H2,1-3H3;4-10H,11H2,1-3H3,(H,17,18);4-5H,1-3H3;4-5H,1-3H3,(H2,10,11);/t17-;18-;;;;/m11..../s1.

What are the key properties of 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate?

2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 1409.01 g/mol, XLogP of 10.86, 17 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N,N,6-trimethylpyridine-4-carboxamide;2-(benzylamino)-N,N,6-trimethylpyridine-4-carboxamide;carbon dioxide;2-chloro-N,N,6-trimethylpyridine-4-carboxamide;methyl (2R)-2-[[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]amino]pentanoate;methyl (2R)-1-[1-[(4-chloro-3-methylphenyl)methyl]piperidin-4-yl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 158231478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).