N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide

C22H19ClN4O2 — CID 78320873

IUPACN-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)n4)c3)ccc21
InChIInChI=1S/C22H19ClN4O2/c1-27-18-7-5-15(11-16(18)6-8-22(27)29)17-9-14(12-24-13-17)10-21(28)26-20-4-2-3-19(23)25-20/h2-5,7,9,11-13H,6,8,10H2,1H3,(H,25,26,28)
InChIKeyNSXWOMUYILNYRX-UHFFFAOYSA-N
MW406.87 g/mol
LogP3.89
Rot. Bonds4

About N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide

N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide (PubChem CID 78320873) has the molecular formula C22H19ClN4O2 and a molecular weight of 406.87 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
PubChem CID78320873
Molecular FormulaC22H19ClN4O2
Molecular Weight406.87 g/mol
Exact Mass406.12
IUPAC NameN-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide
SMILESCN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)n4)c3)ccc21
InChIInChI=1S/C22H19ClN4O2/c1-27-18-7-5-15(11-16(18)6-8-22(27)29)17-9-14(12-24-13-17)10-21(28)26-20-4-2-3-19(23)25-20/h2-5,7,9,11-13H,6,8,10H2,1H3,(H,25,26,28)
InChIKeyNSXWOMUYILNYRX-UHFFFAOYSA-N
XLogP3.89
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.87
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide (CID 78320873) is N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide is CN1C(=O)CCc2cc(-c3cncc(CC(=O)Nc4cccc(Cl)n4)c3)ccc21.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
The InChIKey is NSXWOMUYILNYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2/c1-27-18-7-5-15(11-16(18)6-8-22(27)29)17-9-14(12-24-13-17)10-21(28)26-20-4-2-3-19(23)25-20/h2-5,7,9,11-13H,6,8,10H2,1H3,(H,25,26,28).
What are the key properties of N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide?
N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide has a molecular weight of 406.87 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2-[5-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 78320873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).