N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide

C21H16N4O — CID 59859940

IUPACN-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nccc(-c4ccncc4)c3c2)cn1
InChIInChI=1S/C21H16N4O/c1-14(26)25-21-5-3-17(13-24-21)16-2-4-20-19(12-16)18(8-11-23-20)15-6-9-22-10-7-15/h2-13H,1H3,(H,24,25,26)
InChIKeyNLTIJRLKUBRQQO-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.32
Rot. Bonds3

About N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide

N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide (PubChem CID 59859940) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide
PubChem CID59859940
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC NameN-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3nccc(-c4ccncc4)c3c2)cn1
InChIInChI=1S/C21H16N4O/c1-14(26)25-21-5-3-17(13-24-21)16-2-4-20-19(12-16)18(8-11-23-20)15-6-9-22-10-7-15/h2-13H,1H3,(H,24,25,26)
InChIKeyNLTIJRLKUBRQQO-UHFFFAOYSA-N
XLogP4.32
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide (CID 59859940) is N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2ccc3nccc(-c4ccncc4)c3c2)cn1.
What is the InChIKey of N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
The InChIKey is NLTIJRLKUBRQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c1-14(26)25-21-5-3-17(13-24-21)16-2-4-20-19(12-16)18(8-11-23-20)15-6-9-22-10-7-15/h2-13H,1H3,(H,24,25,26).
What are the key properties of N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide has a molecular weight of 340.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 59859940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).