N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride

C63H61Cl4N19O4 — CID 163661680

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride (PubChem CID 163661680) has the molecular formula C63H61Cl4N19O4 and a molecular weight of 1290.12 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride
• PubChem CID: 163661680
• Molecular Formula: C63H61Cl4N19O4
• Molecular Weight: 1290.12 g/mol
• Exact Mass: 1287.39
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1n[nH]c(Cc2ccc3ncc(Cl)cc3c2)n1.Cl.O=C(O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1
• InChI: InChI=1S/C22H21ClN6O.C20H18ClN7O.C14H10ClN3O2.C7H11N3.ClH/c1-12-5-21(24)27-13(2)18(12)11-26-22(30)20-9-17(28-29-20)7-14-3-4-19-15(6-14)8-16(23)10-25-19;1-11-13(3-5-17(22)25-11)9-24-20(29)19-26-18(27-28-19)7-12-2-4-16-14(6-12)8-15(21)10-23-16;15-10-5-9-3-8(1-2-12(9)16-7-10)4-11-6-13(14(19)20)18-17-11;1-5-6(4-8)2-3-7(9)10-5;/h3-6,8,10H,7,9,11H2,1-2H3,(H2,24,27)(H,26,30);2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,29)(H,26,27,28);1-3,5,7H,4,6H2,(H,19,20);2-3H,4,8H2,1H3,(H2,9,10);1H
• InChIKey: JINGTXPFSYJYNI-UHFFFAOYSA-N
• XLogP: 9.92
• TPSA: 367.93 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1290.12
LogP ≤ 5	9.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride (CID 163661680) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride is Cc1cc(N)nc(C)c1CNC(=O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.Cc1nc(N)ccc1CN.Cc1nc(N)ccc1CNC(=O)c1n[nH]c(Cc2ccc3ncc(Cl)cc3c2)n1.Cl.O=C(O)C1=NN=C(Cc2ccc3ncc(Cl)cc3c2)C1.

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

The InChIKey is JINGTXPFSYJYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C20H18ClN7O.C14H10ClN3O2.C7H11N3.ClH/c1-12-5-21(24)27-13(2)18(12)11-26-22(30)20-9-17(28-29-20)7-14-3-4-19-15(6-14)8-16(23)10-25-19;1-11-13(3-5-17(22)25-11)9-24-20(29)19-26-18(27-28-19)7-12-2-4-16-14(6-12)8-15(21)10-23-16;15-10-5-9-3-8(1-2-12(9)16-7-10)4-11-6-13(14(19)20)18-17-11;1-5-6(4-8)2-3-7(9)10-5;/h3-6,8,10H,7,9,11H2,1-2H3,(H2,24,27)(H,26,30);2-6,8,10H,7,9H2,1H3,(H2,22,25)(H,24,29)(H,26,27,28);1-3,5,7H,4,6H2,(H,19,20);2-3H,4,8H2,1H3,(H2,9,10);1H.

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride has a molecular weight of 1290.12 g/mol, XLogP of 9.92, 14 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxamide;5-(aminomethyl)-6-methylpyridin-2-amine;N-[(6-amino-2-methyl-3-pyridinyl)methyl]-5-[(3-chloroquinolin-6-yl)methyl]-1H-1,2,4-triazole-3-carboxamide;5-[(3-chloroquinolin-6-yl)methyl]-4H-pyrazole-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 163661680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).