N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane

C47H46Cl2N14O3 — CID 158873693

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane (PubChem CID 158873693) has the molecular formula C47H46Cl2N14O3 and a molecular weight of 925.89 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane
• PubChem CID: 158873693
• Molecular Formula: C47H46Cl2N14O3
• Molecular Weight: 925.89 g/mol
• Exact Mass: 924.33
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane
• SMILES: C.Cc1cc(N)nc(C)c1CN.[C-]#[N+]c1cc(C(=O)NCc2c(C)cc(N)nc2C)nn1Cc1ccc2ncc(Cl)cc2c1.[C-]#[N+]c1cc(C(=O)O)nn1Cc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C23H20ClN7O.C15H9ClN4O2.C8H13N3.CH4/c1-13-6-21(25)29-14(2)18(13)11-28-23(32)20-9-22(26-3)31(30-20)12-15-4-5-19-16(7-15)8-17(24)10-27-19;1-17-14-6-13(15(21)22)19-20(14)8-9-2-3-12-10(4-9)5-11(16)7-18-12;1-5-3-8(10)11-6(2)7(5)4-9;/h4-10H,11-12H2,1-2H3,(H2,25,29)(H,28,32);2-7H,8H2,(H,21,22);3H,4,9H2,1-2H3,(H2,10,11);1H4
• InChIKey: JCDXXMUAOUMCAZ-UHFFFAOYSA-N
• XLogP: 8.97
• TPSA: 240.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	925.89
LogP ≤ 5	8.97
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane (CID 158873693) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane is C.Cc1cc(N)nc(C)c1CN.[C-]#[N+]c1cc(C(=O)NCc2c(C)cc(N)nc2C)nn1Cc1ccc2ncc(Cl)cc2c1.[C-]#[N+]c1cc(C(=O)O)nn1Cc1ccc2ncc(Cl)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane?

The InChIKey is JCDXXMUAOUMCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN7O.C15H9ClN4O2.C8H13N3.CH4/c1-13-6-21(25)29-14(2)18(13)11-28-23(32)20-9-22(26-3)31(30-20)12-15-4-5-19-16(7-15)8-17(24)10-27-19;1-17-14-6-13(15(21)22)19-20(14)8-9-2-3-12-10(4-9)5-11(16)7-18-12;1-5-3-8(10)11-6(2)7(5)4-9;/h4-10H,11-12H2,1-2H3,(H2,25,29)(H,28,32);2-7H,8H2,(H,21,22);3H,4,9H2,1-2H3,(H2,10,11);1H4.

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane has a molecular weight of 925.89 g/mol, XLogP of 8.97, 9 rotatable bonds, 5 hydrogen bond donors, and 13 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]-5-isocyanopyrazole-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;1-[(3-chloroquinolin-6-yl)methyl]-5-isocyanopyrazole-3-carboxylic acid;methane is sourced from PubChem (CID 158873693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).