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

C24H19FN6O — CID 118212194

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

N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118212194) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118212194
• Molecular Formula: C24H19FN6O
• Molecular Weight: 426.46 g/mol
• Exact Mass: 426.16
• IUPAC Name: N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: Cc1nc(N)cc(C#N)c1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1
• InChI: InChI=1S/C24H19FN6O/c1-14-21(18(11-26)10-23(27)31-14)13-30-24(32)16-4-5-28-20(9-16)7-15-2-3-22-17(6-15)8-19(25)12-29-22/h2-6,8-10,12H,7,13H2,1H3,(H2,27,31)(H,30,32)
• InChIKey: HZQUQJORXQPRHG-UHFFFAOYSA-N
• XLogP: 3.45
• TPSA: 117.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.46
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118212194) is N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is Cc1nc(N)cc(C#N)c1CNC(=O)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1.

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

The InChIKey is HZQUQJORXQPRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-14-21(18(11-26)10-23(27)31-14)13-30-24(32)16-4-5-28-20(9-16)7-15-2-3-22-17(6-15)8-19(25)12-29-22/h2-6,8-10,12H,7,13H2,1H3,(H2,27,31)(H,30,32).

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

N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 426.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-4-cyano-2-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).