N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide

C18H22FN5O — CID 154814695

About N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide

N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide (PubChem CID 154814695) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 154814695
• Molecular Formula: C18H22FN5O
• Molecular Weight: 343.41 g/mol
• Exact Mass: 343.18
• IUPAC Name: N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide
• SMILES: Cn1ccnc1CN(C(=O)c1ccncc1F)C1CC12CCNCC2
• InChI: InChI=1S/C18H22FN5O/c1-23-9-8-22-16(23)12-24(15-10-18(15)3-6-20-7-4-18)17(25)13-2-5-21-11-14(13)19/h2,5,8-9,11,15,20H,3-4,6-7,10,12H2,1H3
• InChIKey: PQWLMMRZTCBACO-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.41
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide (CID 154814695) is N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide is Cn1ccnc1CN(C(=O)c1ccncc1F)C1CC12CCNCC2.

What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide?

The InChIKey is PQWLMMRZTCBACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-23-9-8-22-16(23)12-24(15-10-18(15)3-6-20-7-4-18)17(25)13-2-5-21-11-14(13)19/h2,5,8-9,11,15,20H,3-4,6-7,10,12H2,1H3.

What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide?

N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-azaspiro[2.5]octan-2-yl)-3-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 154814695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).