5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide

C22H23N5O2 — CID 109104633

IUPAC5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C22H23N5O2/c1-2-26-9-11-27(12-10-26)22(29)18-13-17(14-23-15-18)21(28)25-19-7-3-5-16-6-4-8-24-20(16)19/h3-8,13-15H,2,9-12H2,1H3,(H,25,28)
InChIKeyWNPNQHVGKRFITB-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.66
Rot. Bonds4

About 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide

5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109104633) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109104633
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C22H23N5O2/c1-2-26-9-11-27(12-10-26)22(29)18-13-17(14-23-15-18)21(28)25-19-7-3-5-16-6-4-8-24-20(16)19/h3-8,13-15H,2,9-12H2,1H3,(H,25,28)
InChIKeyWNPNQHVGKRFITB-UHFFFAOYSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104584
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108326
5-(N-ethylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109243659
5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109105406
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109104633) is 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide is CCN1CCN(C(=O)c2cncc(C(=O)Nc3cccc4cccnc34)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is WNPNQHVGKRFITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-2-26-9-11-27(12-10-26)22(29)18-13-17(14-23-15-18)21(28)25-19-7-3-5-16-6-4-8-24-20(16)19/h3-8,13-15H,2,9-12H2,1H3,(H,25,28).
What are the key properties of 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide?
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109104633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).