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

C52H46Cl4N12O3 — CID 159945356

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid (PubChem CID 159945356) has the molecular formula C52H46Cl4N12O3 and a molecular weight of 1028.83 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid
• PubChem CID: 159945356
• Molecular Formula: C52H46Cl4N12O3
• Molecular Weight: 1028.83 g/mol
• Exact Mass: 1026.26
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid
• SMILES: Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(Cl)cc12.O=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(Cl)cc12
• InChI: InChI=1S/C26H22Cl2N6O.C18H11Cl2N3O2.C8H13N3/c1-14-5-25(29)33-15(2)20(14)10-32-26(35)21-13-34(23-11-31-24(28)8-19(21)23)12-16-3-4-22-17(6-16)7-18(27)9-30-22;19-12-4-11-3-10(1-2-15(11)21-6-12)8-23-9-14(18(24)25)13-5-17(20)22-7-16(13)23;1-5-3-8(10)11-6(2)7(5)4-9/h3-9,11,13H,10,12H2,1-2H3,(H2,29,33)(H,32,35);1-7,9H,8H2,(H,24,25);3H,4,9H2,1-2H3,(H2,10,11)
• InChIKey: OBKIDWAWOLBZBD-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 231.66 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.83
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid (CID 159945356) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid.

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

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid is Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(Cl)cc12.O=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnc(Cl)cc12.

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

The InChIKey is OBKIDWAWOLBZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N6O.C18H11Cl2N3O2.C8H13N3/c1-14-5-25(29)33-15(2)20(14)10-32-26(35)21-13-34(23-11-31-24(28)8-19(21)23)12-16-3-4-22-17(6-16)7-18(27)9-30-22;19-12-4-11-3-10(1-2-15(11)21-6-12)8-23-9-14(18(24)25)13-5-17(20)22-7-16(13)23;1-5-3-8(10)11-6(2)7(5)4-9/h3-9,11,13H,10,12H2,1-2H3,(H2,29,33)(H,32,35);1-7,9H,8H2,(H,24,25);3H,4,9H2,1-2H3,(H2,10,11).

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

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid has a molecular weight of 1028.83 g/mol, XLogP of 10.84, 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]-5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;5-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 159945356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).