N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide

C21H26N4O2 — CID 109104584

IUPACN-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc(C)cc3C)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-4-24-7-9-25(10-8-24)21(27)18-12-17(13-22-14-18)20(26)23-19-6-5-15(2)11-16(19)3/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyHXJKLDPFNMWZLD-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.73
Rot. Bonds4

About N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide

N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109104584) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
PubChem CID109104584
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide
SMILESCCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc(C)cc3C)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-4-24-7-9-25(10-8-24)21(27)18-12-17(13-22-14-18)20(26)23-19-6-5-15(2)11-16(19)3/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,26)
InChIKeyHXJKLDPFNMWZLD-UHFFFAOYSA-N
XLogP2.73
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-dimethylanilino)pyrimidin-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109254064
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109104633
ethyl 4-[5-[(2-methylphenyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106680
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
4-(azepane-1-carbonyl)-N-(2,4-dimethylphenyl)benzamide
CID 109049129
N-(2,4-dimethylphenyl)-4-ethylpiperazine-1-carbothioamide
CID 19654847
N-(2,4-dimethylphenyl)-3-(piperidine-1-carbonyl)benzamide
CID 109052045
[5-(2,4-dimethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230137
[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225589
(4-ethylpiperazin-1-yl)-[3-methyl-4-(methylamino)phenyl]methanone
CID 63209664
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide (CID 109104584) is N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide is CCN1CCN(C(=O)c2cncc(C(=O)Nc3ccc(C)cc3C)c2)CC1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is HXJKLDPFNMWZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-4-24-7-9-25(10-8-24)21(27)18-12-17(13-22-14-18)20(26)23-19-6-5-15(2)11-16(19)3/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,26).
What are the key properties of N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-(4-ethylpiperazine-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109104584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).