N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide

C26H23ClN6O2 — CID 146012335

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 146012335) has the molecular formula C26H23ClN6O2 and a molecular weight of 486.96 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide
• PubChem CID: 146012335
• Molecular Formula: C26H23ClN6O2
• Molecular Weight: 486.96 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)C1=CN(Cc2ccc3ncc(Cl)cc3c2)C2=CC=NC(=O)C12
• InChI: InChI=1S/C26H23ClN6O2/c1-14-7-23(28)32-15(2)19(14)11-31-25(34)20-13-33(22-5-6-29-26(35)24(20)22)12-16-3-4-21-17(8-16)9-18(27)10-30-21/h3-10,13,24H,11-12H2,1-2H3,(H2,28,32)(H,31,34)
• InChIKey: BRXNQUBNIJNRAZ-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 113.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.96
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide (CID 146012335) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)C1=CN(Cc2ccc3ncc(Cl)cc3c2)C2=CC=NC(=O)C12.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide?

The InChIKey is BRXNQUBNIJNRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O2/c1-14-7-23(28)32-15(2)19(14)11-31-25(34)20-13-33(22-5-6-29-26(35)24(20)22)12-16-3-4-21-17(8-16)9-18(27)10-30-21/h3-10,13,24H,11-12H2,1-2H3,(H2,28,32)(H,31,34).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 486.96 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-4-oxo-3aH-pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 146012335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).