N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

C25H18ClFN4O — CID 118213098

About N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide

N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118213098) has the molecular formula C25H18ClFN4O and a molecular weight of 444.90 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118213098
• Molecular Formula: C25H18ClFN4O
• Molecular Weight: 444.90 g/mol
• Exact Mass: 444.12
• IUPAC Name: N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: O=C(NCc1ccc2[nH]cc(Cl)c2c1)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1
• InChI: InChI=1S/C25H18ClFN4O/c26-22-14-30-24-4-2-16(9-21(22)24)12-31-25(32)17-5-6-28-20(11-17)8-15-1-3-23-18(7-15)10-19(27)13-29-23/h1-7,9-11,13-14,30H,8,12H2,(H,31,32)
• InChIKey: LQKARGKLJWGRTM-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 70.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.90
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The IUPAC name of N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118213098) is N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The canonical SMILES for N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is O=C(NCc1ccc2[nH]cc(Cl)c2c1)c1ccnc(Cc2ccc3ncc(F)cc3c2)c1.

What is the InChIKey of N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

The InChIKey is LQKARGKLJWGRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClFN4O/c26-22-14-30-24-4-2-16(9-21(22)24)12-31-25(32)17-5-6-28-20(11-17)8-15-1-3-23-18(7-15)10-19(27)13-29-23/h1-7,9-11,13-14,30H,8,12H2,(H,31,32).

What are the key properties of N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide?

N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 444.90 g/mol, XLogP of 5.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-1H-indol-5-yl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118213098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).