N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C18H21F2N5O2 — CID 167753220

About N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 167753220) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 167753220
• Molecular Formula: C18H21F2N5O2
• Molecular Weight: 377.40 g/mol
• Exact Mass: 377.17
• IUPAC Name: N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
• SMILES: Cc1cc(C)n(-c2ccc(C(=O)NCC3CCCC(F)(F)C(=O)N3)cn2)n1
• InChI: InChI=1S/C18H21F2N5O2/c1-11-8-12(2)25(24-11)15-6-5-13(9-21-15)16(26)22-10-14-4-3-7-18(19,20)17(27)23-14/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,22,26)(H,23,27)
• InChIKey: GYGRAATUQDNLKF-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.40
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 167753220) is N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)NCC3CCCC(F)(F)C(=O)N3)cn2)n1.

What is the InChIKey of N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?

The InChIKey is GYGRAATUQDNLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-11-8-12(2)25(24-11)15-6-5-13(9-21-15)16(26)22-10-14-4-3-7-18(19,20)17(27)23-14/h5-6,8-9,14H,3-4,7,10H2,1-2H3,(H,22,26)(H,23,27).

What are the key properties of N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?

N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6,6-difluoro-7-oxoazepan-2-yl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167753220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).