N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid

C56H69ClN16O8 — CID 158226346

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid (PubChem CID 158226346) has the molecular formula C56H69ClN16O8 and a molecular weight of 1129.72 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid
• PubChem CID: 158226346
• Molecular Formula: C56H69ClN16O8
• Molecular Weight: 1129.72 g/mol
• Exact Mass: 1128.52
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1ccn(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CN.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1ccn[nH]1.O=C(O)c1ccn[nH]1
• InChI: InChI=1S/C22H21ClN6O.C17H23N5O3.C13H21N3O2.C4H4N2O2/c1-13-7-21(24)27-14(2)18(13)11-26-22(30)20-5-6-29(28-20)12-15-3-4-19-16(8-15)9-17(23)10-25-19;1-10-8-14(21-16(24)25-17(3,4)5)20-11(2)12(10)9-18-15(23)13-6-7-19-22-13;1-8-6-11(15-9(2)10(8)7-14)16-12(17)18-13(3,4)5;7-4(8)3-1-2-5-6-3/h3-10H,11-12H2,1-2H3,(H2,24,27)(H,26,30);6-8H,9H2,1-5H3,(H,18,23)(H,19,22)(H,20,21,24);6H,7,14H2,1-5H3,(H,15,16,17);1-2H,(H,5,6)(H,7,8)
• InChIKey: GDVPIMYTPNGOLL-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 350.94 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1129.72
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid (CID 158226346) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid is Cc1cc(N)nc(C)c1CNC(=O)c1ccn(Cc2ccc3ncc(Cl)cc3c2)n1.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CN.Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1CNC(=O)c1ccn[nH]1.O=C(O)c1ccn[nH]1.

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

The InChIKey is GDVPIMYTPNGOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C17H23N5O3.C13H21N3O2.C4H4N2O2/c1-13-7-21(24)27-14(2)18(13)11-26-22(30)20-5-6-29(28-20)12-15-3-4-19-16(8-15)9-17(23)10-25-19;1-10-8-14(21-16(24)25-17(3,4)5)20-11(2)12(10)9-18-15(23)13-6-7-19-22-13;1-8-6-11(15-9(2)10(8)7-14)16-12(17)18-13(3,4)5;7-4(8)3-1-2-5-6-3/h3-10H,11-12H2,1-2H3,(H2,24,27)(H,26,30);6-8H,9H2,1-5H3,(H,18,23)(H,19,22)(H,20,21,24);6H,7,14H2,1-5H3,(H,15,16,17);1-2H,(H,5,6)(H,7,8).

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid has a molecular weight of 1129.72 g/mol, XLogP of 8.97, 12 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrazole-3-carboxamide;tert-butyl N-[5-(aminomethyl)-4,6-dimethyl-2-pyridinyl]carbamate;tert-butyl N-[4,6-dimethyl-5-[(1H-pyrazole-5-carbonylamino)methyl]-2-pyridinyl]carbamate;1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 158226346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).