3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate

C63H89F6N17O9 — CID 158013612

About 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate

3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate (PubChem CID 158013612) has the molecular formula C63H89F6N17O9 and a molecular weight of 1342.50 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate.

Molecular Properties

• Compound Name: 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate
• PubChem CID: 158013612
• Molecular Formula: C63H89F6N17O9
• Molecular Weight: 1342.50 g/mol
• Exact Mass: 1341.69
• IUPAC Name: 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(C(F)(F)F)C1.CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1C(F)(F)F.CNC(=O)CCc1ccc(N)nc1.COC(=O)C1CCCN(c2ccc(N)nc2)C1.COC(=O)C1CCN(c2ccc(N)nc2)CC1
• InChI: InChI=1S/2C15H21F3N4O2.2C12H17N3O2.C9H13N3O/c1-14(2,3)24-13(23)21-6-7-22(11(9-21)15(16,17)18)10-4-5-12(19)20-8-10;1-14(2,3)24-13(23)22-7-6-21(9-11(22)15(16,17)18)10-4-5-12(19)20-8-10;1-17-12(16)9-4-6-15(7-5-9)10-2-3-11(13)14-8-10;1-17-12(16)9-3-2-6-15(8-9)10-4-5-11(13)14-7-10;1-11-9(13)5-3-7-2-4-8(10)12-6-7/h2*4-5,8,11H,6-7,9H2,1-3H3,(H2,19,20);2-3,8-9H,4-7H2,1H3,(H2,13,14);4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14);2,4,6H,3,5H2,1H3,(H2,10,12)(H,11,13)
• InChIKey: FFERLNMWZNRHEH-UHFFFAOYSA-N
• XLogP: 7.75
• TPSA: 348.29 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1342.50
LogP ≤ 5	7.75
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate?

The IUPAC name of 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate (CID 158013612) is 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate.

What is the SMILES notation for 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate?

The canonical SMILES for 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)C(C(F)(F)F)C1.CC(C)(C)OC(=O)N1CCN(c2ccc(N)nc2)CC1C(F)(F)F.CNC(=O)CCc1ccc(N)nc1.COC(=O)C1CCCN(c2ccc(N)nc2)C1.COC(=O)C1CCN(c2ccc(N)nc2)CC1.

What is the InChIKey of 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate?

The InChIKey is FFERLNMWZNRHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H21F3N4O2.2C12H17N3O2.C9H13N3O/c1-14(2,3)24-13(23)21-6-7-22(11(9-21)15(16,17)18)10-4-5-12(19)20-8-10;1-14(2,3)24-13(23)22-7-6-21(9-11(22)15(16,17)18)10-4-5-12(19)20-8-10;1-17-12(16)9-4-6-15(7-5-9)10-2-3-11(13)14-8-10;1-17-12(16)9-3-2-6-15(8-9)10-4-5-11(13)14-7-10;1-11-9(13)5-3-7-2-4-8(10)12-6-7/h2*4-5,8,11H,6-7,9H2,1-3H3,(H2,19,20);2-3,8-9H,4-7H2,1H3,(H2,13,14);4-5,7,9H,2-3,6,8H2,1H3,(H2,13,14);2,4,6H,3,5H2,1H3,(H2,10,12)(H,11,13).

What are the key properties of 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate?

3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate has a molecular weight of 1342.50 g/mol, XLogP of 7.75, 9 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-amino-3-pyridinyl)-N-methylpropanamide;tert-butyl 4-(6-amino-3-pyridinyl)-2-(trifluoromethyl)piperazine-1-carboxylate;tert-butyl 4-(6-amino-3-pyridinyl)-3-(trifluoromethyl)piperazine-1-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-3-carboxylate;methyl 1-(6-amino-3-pyridinyl)piperidine-4-carboxylate is sourced from PubChem (CID 158013612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).