N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide

C20H19N5O2 — CID 10021484

About N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide

N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide (PubChem CID 10021484) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide
• PubChem CID: 10021484
• Molecular Formula: C20H19N5O2
• Molecular Weight: 361.41 g/mol
• Exact Mass: 361.15
• IUPAC Name: N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide
• SMILES: CC(=O)Nc1ccc(-c2nccc(-c3cc4c([nH]3)CCNC4=O)n2)c(C)c1
• InChI: InChI=1S/C20H19N5O2/c1-11-9-13(23-12(2)26)3-4-14(11)19-21-7-6-17(25-19)18-10-15-16(24-18)5-8-22-20(15)27/h3-4,6-7,9-10,24H,5,8H2,1-2H3,(H,22,27)(H,23,26)
• InChIKey: RBTISQCMBAWQRV-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.41
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide?

The IUPAC name of N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide (CID 10021484) is N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide?

The canonical SMILES for N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nccc(-c3cc4c([nH]3)CCNC4=O)n2)c(C)c1.

What is the InChIKey of N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide?

The InChIKey is RBTISQCMBAWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-11-9-13(23-12(2)26)3-4-14(11)19-21-7-6-17(25-19)18-10-15-16(24-18)5-8-22-20(15)27/h3-4,6-7,9-10,24H,5,8H2,1-2H3,(H,22,27)(H,23,26).

What are the key properties of N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide?

N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide has a molecular weight of 361.41 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-4-[4-(4-oxo-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)pyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 10021484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).