N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

C23H20FN5O — CID 118213222

About N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118213222) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118213222
• Molecular Formula: C23H20FN5O
• Molecular Weight: 401.45 g/mol
• Exact Mass: 401.17
• IUPAC Name: N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: Cc1cc(N)ncc1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1
• InChI: InChI=1S/C23H20FN5O/c1-14-6-22(25)28-11-18(14)12-29-23(30)16-4-5-26-20(10-16)8-15-2-3-21-17(7-15)9-19(24)13-27-21/h2-7,9-11,13H,8,12H2,1H3,(H2,25,28)(H,29,30)
• InChIKey: IRUYYUKGVQQZPO-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 93.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.45
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118213222) is N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1cc(N)ncc1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1.

What is the InChIKey of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The InChIKey is IRUYYUKGVQQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-14-6-22(25)28-11-18(14)12-29-23(30)16-4-5-26-20(10-16)8-15-2-3-21-17(7-15)9-19(24)13-27-21/h2-7,9-11,13H,8,12H2,1H3,(H2,25,28)(H,29,30).

What are the key properties of N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118213222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).