N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

C28H25N5O2 — CID 118213060

About N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide

N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 118213060) has the molecular formula C28H25N5O2 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
• PubChem CID: 118213060
• Molecular Formula: C28H25N5O2
• Molecular Weight: 463.54 g/mol
• Exact Mass: 463.20
• IUPAC Name: N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
• SMILES: Cc1nc2[nH]ccc2cc1CNC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1
• InChI: InChI=1S/C28H25N5O2/c1-19-24(14-23-9-10-30-27(23)32-19)17-31-28(35)25-13-22(15-29-16-25)12-20-5-7-21(8-6-20)18-33-11-3-2-4-26(33)34/h2-11,13-16H,12,17-18H2,1H3,(H,30,32)(H,31,35)
• InChIKey: LBZCZWGDAIFFCQ-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 92.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.54
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?

The IUPAC name of N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 118213060) is N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?

The canonical SMILES for N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is Cc1nc2[nH]ccc2cc1CNC(=O)c1cncc(Cc2ccc(Cn3ccccc3=O)cc2)c1.

What is the InChIKey of N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?

The InChIKey is LBZCZWGDAIFFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O2/c1-19-24(14-23-9-10-30-27(23)32-19)17-31-28(35)25-13-22(15-29-16-25)12-20-5-7-21(8-6-20)18-33-11-3-2-4-26(33)34/h2-11,13-16H,12,17-18H2,1H3,(H,30,32)(H,31,35).

What are the key properties of N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide?

N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118213060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).