N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide

C27H25ClN6O2 — CID 134177829

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide (PubChem CID 134177829) has the molecular formula C27H25ClN6O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 134177829
• Molecular Formula: C27H25ClN6O2
• Molecular Weight: 500.99 g/mol
• Exact Mass: 500.17
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)cn(Cc3ccc4ncc(Cl)cc4c3)c2cn1
• InChI: InChI=1S/C27H25ClN6O2/c1-15-6-25(29)33-16(2)21(15)11-32-27(35)22-14-34(24-12-31-26(36-3)9-20(22)24)13-17-4-5-23-18(7-17)8-19(28)10-30-23/h4-10,12,14H,11,13H2,1-3H3,(H2,29,33)(H,32,35)
• InChIKey: LWJZROFHXJWOKM-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 107.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.99
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-methoxypyrrolo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide (CID 134177829) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-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]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide is COc1cc2c(C(=O)NCc3c(C)cc(N)nc3C)cn(Cc3ccc4ncc(Cl)cc4c3)c2cn1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide?

The InChIKey is LWJZROFHXJWOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN6O2/c1-15-6-25(29)33-16(2)21(15)11-32-27(35)22-14-34(24-12-31-26(36-3)9-20(22)24)13-17-4-5-23-18(7-17)8-19(28)10-30-23/h4-10,12,14H,11,13H2,1-3H3,(H2,29,33)(H,32,35).

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[2,3-c]pyridine-3-carboxamide has a molecular weight of 500.99 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-methoxypyrrolo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 134177829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).