N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid

C59H68N14O7 — CID 158583929

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid (PubChem CID 158583929) has the molecular formula C59H68N14O7 and a molecular weight of 1085.28 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid
• PubChem CID: 158583929
• Molecular Formula: C59H68N14O7
• Molecular Weight: 1085.28 g/mol
• Exact Mass: 1084.54
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid
• SMILES: Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CN.Cc1cnc2c(C(C)(C)O)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C#N)cc2c1.Cc1cnc2c(C(C)(C)O)cc(Cn3ncc(C(=O)O)c3C#N)cc2c1
• InChI: InChI=1S/C27H29N7O2.C19H18N4O3.C13H21N3O2/c1-15-6-19-8-18(9-22(27(4,5)36)25(19)30-11-15)14-34-23(10-28)21(13-32-34)26(35)31-12-20-16(2)7-24(29)33-17(20)3;1-11-4-13-5-12(6-15(19(2,3)26)17(13)21-8-11)10-23-16(7-20)14(9-22-23)18(24)25;1-8-6-11(15-9(2)10(8)7-14)16-12(17)18-13(3,4)5/h6-9,11,13,36H,12,14H2,1-5H3,(H2,29,33)(H,31,35);4-6,8-9,26H,10H2,1-3H3,(H,24,25);6H,7,14H2,1-5H3,(H,15,16,17)
• InChIKey: HTPAMDBFMPKSKF-UHFFFAOYSA-N
• XLogP: 8.50
• TPSA: 332.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1085.28
LogP ≤ 5	8.50
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid (CID 158583929) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid is Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CN.Cc1cnc2c(C(C)(C)O)cc(Cn3ncc(C(=O)NCc4c(C)cc(N)nc4C)c3C#N)cc2c1.Cc1cnc2c(C(C)(C)O)cc(Cn3ncc(C(=O)O)c3C#N)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid?

The InChIKey is HTPAMDBFMPKSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2.C19H18N4O3.C13H21N3O2/c1-15-6-19-8-18(9-22(27(4,5)36)25(19)30-11-15)14-34-23(10-28)21(13-32-34)26(35)31-12-20-16(2)7-24(29)33-17(20)3;1-11-4-13-5-12(6-15(19(2,3)26)17(13)21-8-11)10-23-16(7-20)14(9-22-23)18(24)25;1-8-6-11(15-9(2)10(8)7-14)16-12(17)18-13(3,4)5/h6-9,11,13,36H,12,14H2,1-5H3,(H2,29,33)(H,31,35);4-6,8-9,26H,10H2,1-3H3,(H,24,25);6H,7,14H2,1-5H3,(H,15,16,17).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 1085.28 g/mol, XLogP of 8.50, 12 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;5-cyano-1-[[8-(2-hydroxypropan-2-yl)-3-methylquinolin-6-yl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 158583929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).