N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide

C19H19N5O — CID 24876411

IUPACN-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(N2CCNCC2)cc2cccnc12)c1ccccn1
InChIInChI=1S/C19H19N5O/c25-19(16-5-1-2-6-21-16)23-17-13-15(24-10-8-20-9-11-24)12-14-4-3-7-22-18(14)17/h1-7,12-13,20H,8-11H2,(H,23,25)
InChIKeyNQSREKWJMGUPNF-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.29
Rot. Bonds3

About N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide

N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide (PubChem CID 24876411) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide
PubChem CID24876411
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide
SMILESO=C(Nc1cc(N2CCNCC2)cc2cccnc12)c1ccccn1
InChIInChI=1S/C19H19N5O/c25-19(16-5-1-2-6-21-16)23-17-13-15(24-10-8-20-9-11-24)12-14-4-3-7-22-18(14)17/h1-7,12-13,20H,8-11H2,(H,23,25)
InChIKeyNQSREKWJMGUPNF-UHFFFAOYSA-N
XLogP2.29
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide (CID 24876411) is N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide is O=C(Nc1cc(N2CCNCC2)cc2cccnc12)c1ccccn1.
What is the InChIKey of N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide?
The InChIKey is NQSREKWJMGUPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(16-5-1-2-6-21-16)23-17-13-15(24-10-8-20-9-11-24)12-14-4-3-7-22-18(14)17/h1-7,12-13,20H,8-11H2,(H,23,25).
What are the key properties of N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide?
N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-piperazin-1-ylquinolin-8-yl)pyridine-2-carboxamide is sourced from PubChem (CID 24876411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).