N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide

C21H23N5O — CID 154569226

About N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide

N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide (PubChem CID 154569226) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide
• PubChem CID: 154569226
• Molecular Formula: C21H23N5O
• Molecular Weight: 361.45 g/mol
• Exact Mass: 361.19
• IUPAC Name: N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide
• SMILES: CNC(=O)c1cccnc1N1CCc2c(-c3ccccc3)nn(C)c2CC1
• InChI: InChI=1S/C21H23N5O/c1-22-21(27)17-9-6-12-23-20(17)26-13-10-16-18(11-14-26)25(2)24-19(16)15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,27)
• InChIKey: NKPFZRHXQOISBO-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.45
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide?

The IUPAC name of N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide (CID 154569226) is N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide?

The canonical SMILES for N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide is CNC(=O)c1cccnc1N1CCc2c(-c3ccccc3)nn(C)c2CC1.

What is the InChIKey of N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide?

The InChIKey is NKPFZRHXQOISBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-22-21(27)17-9-6-12-23-20(17)26-13-10-16-18(11-14-26)25(2)24-19(16)15-7-4-3-5-8-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,22,27).

What are the key properties of N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide?

N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-2-(1-methyl-3-phenyl-4,5,7,8-tetrahydropyrazolo[4,5-d]azepin-6-yl)pyridine-3-carboxamide is sourced from PubChem (CID 154569226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).