N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide

C21H23N5O — CID 134147954

IUPACN-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccnc3ccccc23)CC1)NCc1ccccn1
InChIInChI=1S/C21H23N5O/c27-21(24-15-17-5-3-4-9-22-17)16-25-11-13-26(14-12-25)20-8-10-23-19-7-2-1-6-18(19)20/h1-10H,11-16H2,(H,24,27)
InChIKeyOLUMIRZFIYHPHU-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.07
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide

N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide (PubChem CID 134147954) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide
PubChem CID134147954
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide
SMILESO=C(CN1CCN(c2ccnc3ccccc23)CC1)NCc1ccccn1
InChIInChI=1S/C21H23N5O/c27-21(24-15-17-5-3-4-9-22-17)16-25-11-13-26(14-12-25)20-8-10-23-19-7-2-1-6-18(19)20/h1-10H,11-16H2,(H,24,27)
InChIKeyOLUMIRZFIYHPHU-UHFFFAOYSA-N
XLogP2.07
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide (CID 134147954) is N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide is O=C(CN1CCN(c2ccnc3ccccc23)CC1)NCc1ccccn1.
What is the InChIKey of N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
The InChIKey is OLUMIRZFIYHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21(24-15-17-5-3-4-9-22-17)16-25-11-13-26(14-12-25)20-8-10-23-19-7-2-1-6-18(19)20/h1-10H,11-16H2,(H,24,27).
What are the key properties of N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide?
N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-2-(4-quinolin-4-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 134147954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).