N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C21H23N5O2 — CID 24876496

IUPACN-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N3CCN(C)CC3)ccn2)c2ncccc2c1
InChIInChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)16-5-7-22-19(13-16)21(27)24-18-14-17(28-2)12-15-4-3-6-23-20(15)18/h3-7,12-14H,8-11H2,1-2H3,(H,24,27)
InChIKeyAKKXGXRWFSAPDV-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.64
Rot. Bonds4

About N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 24876496) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID24876496
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOc1cc(NC(=O)c2cc(N3CCN(C)CC3)ccn2)c2ncccc2c1
InChIInChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)16-5-7-22-19(13-16)21(27)24-18-14-17(28-2)12-15-4-3-6-23-20(15)18/h3-7,12-14H,8-11H2,1-2H3,(H,24,27)
InChIKeyAKKXGXRWFSAPDV-UHFFFAOYSA-N
XLogP2.64
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 24876496) is N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is COc1cc(NC(=O)c2cc(N3CCN(C)CC3)ccn2)c2ncccc2c1.
What is the InChIKey of N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is AKKXGXRWFSAPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-25-8-10-26(11-9-25)16-5-7-22-19(13-16)21(27)24-18-14-17(28-2)12-15-4-3-6-23-20(15)18/h3-7,12-14H,8-11H2,1-2H3,(H,24,27).
What are the key properties of N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxyquinolin-8-yl)-4-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 24876496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).