N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide

C22H21N5O3 — CID 134807222

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide (PubChem CID 134807222) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
• PubChem CID: 134807222
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
• SMILES: COc1ncccc1-c1cc2[nH]ccc2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)n1
• InChI: InChI=1S/C22H21N5O3/c1-12-9-13(2)26-20(28)16(12)11-25-21(29)19-14-6-8-23-17(14)10-18(27-19)15-5-4-7-24-22(15)30-3/h4-10,23H,11H2,1-3H3,(H,25,29)(H,26,28)
• InChIKey: JPOAHQLTXWPNNY-UHFFFAOYSA-N
• XLogP: 2.87
• TPSA: 112.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide (CID 134807222) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide is COc1ncccc1-c1cc2[nH]ccc2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)n1.

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

The InChIKey is JPOAHQLTXWPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-12-9-13(2)26-20(28)16(12)11-25-21(29)19-14-6-8-23-17(14)10-18(27-19)15-5-4-7-24-22(15)30-3/h4-10,23H,11H2,1-3H3,(H,25,29)(H,26,28).

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(2-methoxy-3-pyridinyl)-1H-pyrrolo[3,2-c]pyridine-4-carboxamide is sourced from PubChem (CID 134807222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).