N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

C97H119N15O12 — CID 159455980

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (PubChem CID 159455980) has the molecular formula C97H119N15O12 and a molecular weight of 1687.11 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
• PubChem CID: 159455980
• Molecular Formula: C97H119N15O12
• Molecular Weight: 1687.11 g/mol
• Exact Mass: 1685.92
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate
• SMILES: CCOC(=O)C1=CCN=C1.CCOC(=O)c1cnn(Cc2ccc3c(c2)N(C)CCC3)c1.CN1CCCc2ccc(CO)cc21.CN1CCCc2ccc(Cn3cc(C(=O)O)cn3)cc21.COC(=O)c1ccc2c(c1)CCCC2.COC(=O)c1ccc2c(c1)N(C)CCC2.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)N(C)CCC3)c1
• InChI: InChI=1S/C23H28N6O.C17H21N3O2.C15H17N3O2.C12H15NO2.C12H14O2.C11H15NO.C7H9NO2/c1-15-9-22(24)27-16(2)20(15)12-25-23(30)19-11-26-29(14-19)13-17-6-7-18-5-4-8-28(3)21(18)10-17;1-3-22-17(21)15-10-18-20(12-15)11-13-6-7-14-5-4-8-19(2)16(14)9-13;1-17-6-2-3-12-5-4-11(7-14(12)17)9-18-10-13(8-16-18)15(19)20;1-13-7-3-4-9-5-6-10(8-11(9)13)12(14)15-2;1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;1-12-6-2-3-10-5-4-9(8-13)7-11(10)12;1-2-10-7(9)6-3-4-8-5-6/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H2,24,27)(H,25,30);6-7,9-10,12H,3-5,8,11H2,1-2H3;4-5,7-8,10H,2-3,6,9H2,1H3,(H,19,20);5-6,8H,3-4,7H2,1-2H3;6-8H,2-5H2,1H3;4-5,7,13H,2-3,6,8H2,1H3;3,5H,2,4H2,1H3
• InChIKey: LTYZXCRXEPFTON-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 312.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1687.11
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate (CID 159455980) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is CCOC(=O)C1=CCN=C1.CCOC(=O)c1cnn(Cc2ccc3c(c2)N(C)CCC3)c1.CN1CCCc2ccc(CO)cc21.CN1CCCc2ccc(Cn3cc(C(=O)O)cn3)cc21.COC(=O)c1ccc2c(c1)CCCC2.COC(=O)c1ccc2c(c1)N(C)CCC2.Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc3c(c2)N(C)CCC3)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?

The InChIKey is LTYZXCRXEPFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O.C17H21N3O2.C15H17N3O2.C12H15NO2.C12H14O2.C11H15NO.C7H9NO2/c1-15-9-22(24)27-16(2)20(15)12-25-23(30)19-11-26-29(14-19)13-17-6-7-18-5-4-8-28(3)21(18)10-17;1-3-22-17(21)15-10-18-20(12-15)11-13-6-7-14-5-4-8-19(2)16(14)9-13;1-17-6-2-3-12-5-4-11(7-14(12)17)9-18-10-13(8-16-18)15(19)20;1-13-7-3-4-9-5-6-10(8-11(9)13)12(14)15-2;1-14-12(13)11-7-6-9-4-2-3-5-10(9)8-11;1-12-6-2-3-10-5-4-9(8-13)7-11(10)12;1-2-10-7(9)6-3-4-8-5-6/h6-7,9-11,14H,4-5,8,12-13H2,1-3H3,(H2,24,27)(H,25,30);6-7,9-10,12H,3-5,8,11H2,1-2H3;4-5,7-8,10H,2-3,6,9H2,1H3,(H,19,20);5-6,8H,3-4,7H2,1-2H3;6-8H,2-5H2,1H3;4-5,7,13H,2-3,6,8H2,1H3;3,5H,2,4H2,1H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate has a molecular weight of 1687.11 g/mol, XLogP of 13.67, 17 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxamide;ethyl 1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylate;ethyl 2H-pyrrole-4-carboxylate;(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methanol;1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)methyl]pyrazole-4-carboxylic acid;methyl 1-methyl-3,4-dihydro-2H-quinoline-7-carboxylate;methyl 5,6,7,8-tetrahydronaphthalene-2-carboxylate is sourced from PubChem (CID 159455980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).