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

C26H17ClFN5O — CID 118213256

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

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide (PubChem CID 118213256) has the molecular formula C26H17ClFN5O and a molecular weight of 469.91 g/mol. Its IUPAC name is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide
• PubChem CID: 118213256
• Molecular Formula: C26H17ClFN5O
• Molecular Weight: 469.91 g/mol
• Exact Mass: 469.11
• IUPAC Name: N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide
• SMILES: N#Cc1ccnc2ccc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc12
• InChI: InChI=1S/C26H17ClFN5O/c27-22-14-32-25-11-23(28)18(10-21(22)25)13-33-26(34)16-3-5-30-19(9-16)7-15-1-2-24-20(8-15)17(12-29)4-6-31-24/h1-6,8-11,14,32H,7,13H2,(H,33,34)
• InChIKey: NHUNQBFMIZILLQ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 94.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.91
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide (CID 118213256) is N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide is N#Cc1ccnc2ccc(Cc3cc(C(=O)NCc4cc5c(Cl)c[nH]c5cc4F)ccn3)cc12.

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

The InChIKey is NHUNQBFMIZILLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClFN5O/c27-22-14-32-25-11-23(28)18(10-21(22)25)13-33-26(34)16-3-5-30-19(9-16)7-15-1-2-24-20(8-15)17(12-29)4-6-31-24/h1-6,8-11,14,32H,7,13H2,(H,33,34).

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

N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide has a molecular weight of 469.91 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-6-fluoro-1H-indol-5-yl)methyl]-2-[(4-cyanoquinolin-6-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118213256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).