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

C22H18N4O — CID 59859982

IUPACN-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2ccc3nccc(-c4ccncc4)c3c2)cn1
InChIInChI=1S/C22H18N4O/c1-14-11-22(26-15(2)27)25-13-20(14)17-3-4-21-19(12-17)18(7-10-24-21)16-5-8-23-9-6-16/h3-13H,1-2H3,(H,25,26,27)
InChIKeyJVUARBZBLFNQBF-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.63
Rot. Bonds3

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

N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide (PubChem CID 59859982) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide
PubChem CID59859982
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(C)c(-c2ccc3nccc(-c4ccncc4)c3c2)cn1
InChIInChI=1S/C22H18N4O/c1-14-11-22(26-15(2)27)25-13-20(14)17-3-4-21-19(12-17)18(7-10-24-21)16-5-8-23-9-6-16/h3-13H,1-2H3,(H,25,26,27)
InChIKeyJVUARBZBLFNQBF-UHFFFAOYSA-N
XLogP4.63
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide (CID 59859982) is N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(C)c(-c2ccc3nccc(-c4ccncc4)c3c2)cn1.
What is the InChIKey of N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
The InChIKey is JVUARBZBLFNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-14-11-22(26-15(2)27)25-13-20(14)17-3-4-21-19(12-17)18(7-10-24-21)16-5-8-23-9-6-16/h3-13H,1-2H3,(H,25,26,27).
What are the key properties of N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide?
N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide has a molecular weight of 354.41 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(4-pyridin-4-ylquinolin-6-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 59859982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).