N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol

C87H101BrN16O9 — CID 161400631

About N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol (PubChem CID 161400631) has the molecular formula C87H101BrN16O9 and a molecular weight of 1594.77 g/mol. Its IUPAC name is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol.

Molecular Properties

• Compound Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol
• PubChem CID: 161400631
• Molecular Formula: C87H101BrN16O9
• Molecular Weight: 1594.77 g/mol
• Exact Mass: 1592.71
• IUPAC Name: N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol
• SMILES: CCOC(=O)c1cc2c(C)cc(C)cc2nc1C.CCOC(=O)c1cn[nH]c1.Cc1cc(C)c2cc(CBr)c(C)nc2c1.Cc1cc(C)c2cc(CO)c(C)nc2c1.Cc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1.Cc1nc(NC(=O)OC(C)(C)C)ccc1CNC(=O)c1cn[nH]c1
• InChI: InChI=1S/C24H26N6O.C16H21N5O3.C15H17NO2.C13H14BrN.C13H15NO.C6H8N2O2/c1-14-7-15(2)21-9-19(17(4)28-22(21)8-14)12-30-13-20(11-27-30)24(31)26-10-18-5-6-23(25)29-16(18)3;1-10-11(7-17-14(22)12-8-18-19-9-12)5-6-13(20-10)21-15(23)24-16(2,3)4;1-5-18-15(17)13-8-12-10(3)6-9(2)7-14(12)16-11(13)4;1-8-4-9(2)12-6-11(7-14)10(3)15-13(12)5-8;1-8-4-9(2)12-6-11(7-15)10(3)14-13(12)5-8;1-2-10-6(9)5-3-7-8-4-5/h5-9,11,13H,10,12H2,1-4H3,(H2,25,29)(H,26,31);5-6,8-9H,7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21,23);6-8H,5H2,1-4H3;4-6H,7H2,1-3H3;4-6,15H,7H2,1-3H3;3-4H,2H2,1H3,(H,7,8)
• InChIKey: VUEPOQYPCFCNDZ-UHFFFAOYSA-N
• XLogP: 16.64
• TPSA: 347.90 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1594.77
LogP ≤ 5	16.64
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol?

The IUPAC name of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol (CID 161400631) is N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol.

What is the SMILES notation for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol?

The canonical SMILES for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol is CCOC(=O)c1cc2c(C)cc(C)cc2nc1C.CCOC(=O)c1cn[nH]c1.Cc1cc(C)c2cc(CBr)c(C)nc2c1.Cc1cc(C)c2cc(CO)c(C)nc2c1.Cc1cc(C)c2cc(Cn3cc(C(=O)NCc4ccc(N)nc4C)cn3)c(C)nc2c1.Cc1nc(NC(=O)OC(C)(C)C)ccc1CNC(=O)c1cn[nH]c1.

What is the InChIKey of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol?

The InChIKey is VUEPOQYPCFCNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O.C16H21N5O3.C15H17NO2.C13H14BrN.C13H15NO.C6H8N2O2/c1-14-7-15(2)21-9-19(17(4)28-22(21)8-14)12-30-13-20(11-27-30)24(31)26-10-18-5-6-23(25)29-16(18)3;1-10-11(7-17-14(22)12-8-18-19-9-12)5-6-13(20-10)21-15(23)24-16(2,3)4;1-5-18-15(17)13-8-12-10(3)6-9(2)7-14(12)16-11(13)4;1-8-4-9(2)12-6-11(7-14)10(3)15-13(12)5-8;1-8-4-9(2)12-6-11(7-15)10(3)14-13(12)5-8;1-2-10-6(9)5-3-7-8-4-5/h5-9,11,13H,10,12H2,1-4H3,(H2,25,29)(H,26,31);5-6,8-9H,7H2,1-4H3,(H,17,22)(H,18,19)(H,20,21,23);6-8H,5H2,1-4H3;4-6H,7H2,1-3H3;4-6,15H,7H2,1-3H3;3-4H,2H2,1H3,(H,7,8).

What are the key properties of N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol?

N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol has a molecular weight of 1594.77 g/mol, XLogP of 16.64, 15 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-[(2,5,7-trimethylquinolin-3-yl)methyl]pyrazole-4-carboxamide;3-(bromomethyl)-2,5,7-trimethylquinoline;tert-butyl N-[6-methyl-5-[(1H-pyrazole-4-carbonylamino)methyl]-2-pyridinyl]carbamate;ethyl 1H-pyrazole-4-carboxylate;ethyl 2,5,7-trimethylquinoline-3-carboxylate;(2,5,7-trimethylquinolin-3-yl)methanol is sourced from PubChem (CID 161400631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).