4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine

C133H207N37O20S2 — CID 158589937

About 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine (PubChem CID 158589937) has the molecular formula C133H207N37O20S2 and a molecular weight of 2708.49 g/mol. Its IUPAC name is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine.

Molecular Properties

• Compound Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine
• PubChem CID: 158589937
• Molecular Formula: C133H207N37O20S2
• Molecular Weight: 2708.49 g/mol
• Exact Mass: 2706.58
• IUPAC Name: 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine
• SMILES: CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)c1cc(C)nc(CC)c1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1cc(NC)no1.CCOC(=O)c1ccnc(CC)c1.CCOC(=O)c1nnc(NC)s1.CCn1cc(NC)cc1C(=O)OC.CNC1(c2noc(C)n2)CCCC1.CN[C@H]1CCN(C(=O)OC(C)(C)C)C1.CNc1cc(C(=O)OC)n(C)c1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(OC)ccn1.CNc1cccc(C)n1.CNc1cccnc1
• InChI: InChI=1S/C11H19N3OS.C11H15NO2.C10H20N2O2.C10H13NO2.C9H15N3O.C9H14N2O2.C8H13N3O2.3C8H13N3.C8H12N2O2.C7H10N2O3.C7H10N2O.C7H10N2.C6H9N3O2S.C6H8N2/c1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-10-7-9(6-8(3)12-10)11(13)14-5-2;1-10(2,3)14-9(13)12-6-5-8(7-12)11-4;1-3-9-7-8(5-6-11-9)10(12)13-4-2;1-7-11-8(12-13-7)9(10-2)5-3-4-6-9;1-4-11-6-7(10-2)5-8(11)9(12)13-3;1-4-13-8(12)6-5-7(9-2)10-11(6)3;3*1-9-8-5-7(6-3-4-6)10-11(8)2;1-9-6-4-7(8(11)12-3)10(2)5-6;1-3-11-7(10)5-4-6(8-2)9-12-5;1-8-7-5-6(10-2)3-4-9-7;1-6-4-3-5-7(8-2)9-6;1-3-11-5(10)4-8-9-6(7-2)12-4;1-7-6-3-2-4-8-5-6/h5-7H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3;8,11H,5-7H2,1-4H3;5-7H,3-4H2,1-2H3;10H,3-6H2,1-2H3;5-6,10H,4H2,1-3H3;5H,4H2,1-3H3,(H,9,10);3*5-6,9H,3-4H2,1-2H3;4-5,9H,1-3H3;4H,3H2,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);3H2,1-2H3,(H,7,9);2-5,7H,1H3/t;;8-;;;;;;;;;;;;;/m..0............./s1
• InChIKey: HUHXWSPLUDEQGR-DPZSKDOVSA-N
• XLogP: 20.94
• TPSA: 660.81 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 57
• Rotatable Bonds: 38
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2708.49
LogP ≤ 5	20.94
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine?

The IUPAC name of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine (CID 158589937) is 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine.

What is the SMILES notation for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine?

The canonical SMILES for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine is CCCCc1nc(NC)sc1C(=O)N(C)C.CCOC(=O)c1cc(C)nc(CC)c1.CCOC(=O)c1cc(NC)nn1C.CCOC(=O)c1cc(NC)no1.CCOC(=O)c1ccnc(CC)c1.CCOC(=O)c1nnc(NC)s1.CCn1cc(NC)cc1C(=O)OC.CNC1(c2noc(C)n2)CCCC1.CN[C@H]1CCN(C(=O)OC(C)(C)C)C1.CNc1cc(C(=O)OC)n(C)c1.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(C2CC2)nn1C.CNc1cc(OC)ccn1.CNc1cccc(C)n1.CNc1cccnc1.

What is the InChIKey of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine?

The InChIKey is HUHXWSPLUDEQGR-DPZSKDOVSA-N. The full InChI is InChI=1S/C11H19N3OS.C11H15NO2.C10H20N2O2.C10H13NO2.C9H15N3O.C9H14N2O2.C8H13N3O2.3C8H13N3.C8H12N2O2.C7H10N2O3.C7H10N2O.C7H10N2.C6H9N3O2S.C6H8N2/c1-5-6-7-8-9(10(15)14(3)4)16-11(12-2)13-8;1-4-10-7-9(6-8(3)12-10)11(13)14-5-2;1-10(2,3)14-9(13)12-6-5-8(7-12)11-4;1-3-9-7-8(5-6-11-9)10(12)13-4-2;1-7-11-8(12-13-7)9(10-2)5-3-4-6-9;1-4-11-6-7(10-2)5-8(11)9(12)13-3;1-4-13-8(12)6-5-7(9-2)10-11(6)3;3*1-9-8-5-7(6-3-4-6)10-11(8)2;1-9-6-4-7(8(11)12-3)10(2)5-6;1-3-11-7(10)5-4-6(8-2)9-12-5;1-8-7-5-6(10-2)3-4-9-7;1-6-4-3-5-7(8-2)9-6;1-3-11-5(10)4-8-9-6(7-2)12-4;1-7-6-3-2-4-8-5-6/h5-7H2,1-4H3,(H,12,13);6-7H,4-5H2,1-3H3;8,11H,5-7H2,1-4H3;5-7H,3-4H2,1-2H3;10H,3-6H2,1-2H3;5-6,10H,4H2,1-3H3;5H,4H2,1-3H3,(H,9,10);3*5-6,9H,3-4H2,1-2H3;4-5,9H,1-3H3;4H,3H2,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);3-5H,1-2H3,(H,8,9);3H2,1-2H3,(H,7,9);2-5,7H,1H3/t;;8-;;;;;;;;;;;;;/m..0............./s1.

What are the key properties of 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine?

4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine has a molecular weight of 2708.49 g/mol, XLogP of 20.94, 38 rotatable bonds, 14 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for 4-butyl-N,N-dimethyl-2-(methylamino)-1,3-thiazole-5-carboxamide;tert-butyl (3S)-3-(methylamino)pyrrolidine-1-carboxylate;tris(3-cyclopropyl-N,1-dimethylpyrazol-5-amine);N,6-dimethylpyridin-2-amine;ethyl 2-ethyl-6-methylpyridine-4-carboxylate;ethyl 2-ethylpyridine-4-carboxylate;ethyl 3-(methylamino)-1,2-oxazole-5-carboxylate;ethyl 5-(methylamino)-1,3,4-thiadiazole-2-carboxylate;ethyl 1-methyl-3-(methylamino)pyrazole-5-carboxylate;4-methoxy-N-methylpyridin-2-amine;methyl 1-ethyl-4-(methylamino)pyrrole-2-carboxylate;methyl 1-methyl-4-(methylamino)pyrrole-2-carboxylate;N-methyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine;N-methylpyridin-3-amine is sourced from PubChem (CID 158589937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).