N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

C21H24N4O3 — CID 109096948

IUPACN-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)n1
InChIInChI=1S/C21H24N4O3/c1-3-16-7-4-6-15(2)19(16)23-20(27)17-8-5-9-18(22-17)21(28)25-12-10-24(14-26)11-13-25/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyRQGXFLWLJCEKRG-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.12
Rot. Bonds5

About N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109096948) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109096948
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)n1
InChIInChI=1S/C21H24N4O3/c1-3-16-7-4-6-15(2)19(16)23-20(27)17-8-5-9-18(22-17)21(28)25-12-10-24(14-26)11-13-25/h4-9,14H,3,10-13H2,1-2H3,(H,23,27)
InChIKeyRQGXFLWLJCEKRG-UHFFFAOYSA-N
XLogP2.12
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[6-(4-formylpiperazine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109096981
6-(4-formylpiperazine-1-carbonyl)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109094399
N-[(2-fluorophenyl)methyl]-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109096898
6-N-butan-2-yl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109094666
N-(2-ethyl-6-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147639
N-(2-ethylphenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095186
6-N-cyclopentyl-2-N-(2-ethyl-6-methylphenyl)pyridine-2,6-dicarboxamide
CID 109095024
6-N-(2-ethyl-6-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098447
4-[4-(2,6-diethylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208785
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
N-(2-ethyl-6-methylphenyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080597
2-(4-acetylpiperazin-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326608

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109096948) is N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1cccc(C(=O)N2CCN(C=O)CC2)n1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is RQGXFLWLJCEKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-16-7-4-6-15(2)19(16)23-20(27)17-8-5-9-18(22-17)21(28)25-12-10-24(14-26)11-13-25/h4-9,14H,3,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-6-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).