5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide

C21H23N5O — CID 109230694

IUPAC5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C21H23N5O/c1-2-25-9-11-26(12-10-25)18-13-17(14-22-15-18)21(27)24-19-7-3-5-16-6-4-8-23-20(16)19/h3-8,13-15H,2,9-12H2,1H3,(H,24,27)
InChIKeyNCMZJHCRGMJESD-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.02
Rot. Bonds4

About 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide

5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide (PubChem CID 109230694) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
PubChem CID109230694
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C21H23N5O/c1-2-25-9-11-26(12-10-25)18-13-17(14-22-15-18)21(27)24-19-7-3-5-16-6-4-8-23-20(16)19/h3-8,13-15H,2,9-12H2,1H3,(H,24,27)
InChIKeyNCMZJHCRGMJESD-UHFFFAOYSA-N
XLogP3.02
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109241399
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109104633
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230650
2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
N-[2-(4-ethylpiperazin-1-yl)phenyl]quinoline-8-carboxamide
CID 99147654
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
5-(N-ethylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109243659
3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
The IUPAC name of 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide (CID 109230694) is 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)Nc3cccc4cccnc34)c2)CC1.
What is the InChIKey of 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
The InChIKey is NCMZJHCRGMJESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-2-25-9-11-26(12-10-25)18-13-17(14-22-15-18)21(27)24-19-7-3-5-16-6-4-8-23-20(16)19/h3-8,13-15H,2,9-12H2,1H3,(H,24,27).
What are the key properties of 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide?
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide is sourced from PubChem (CID 109230694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).