4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

C20H26N4O — CID 109208557

IUPAC4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)NCc3ccccc3C)c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)18-8-9-21-19(14-18)20(25)22-15-17-7-5-4-6-16(17)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25)
InChIKeyOPJHQPQVTZDYOH-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.46
Rot. Bonds5

About 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide

4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 109208557) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
PubChem CID109208557
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
SMILESCCN1CCN(c2ccnc(C(=O)NCc3ccccc3C)c2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)18-8-9-21-19(14-18)20(25)22-15-17-7-5-4-6-16(17)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25)
InChIKeyOPJHQPQVTZDYOH-UHFFFAOYSA-N
XLogP2.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-benzyl-4-(4-propyl-1,4-diazepan-1-yl)pyridine-2-carboxamide
CID 133342674
N-(3-acetamidophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208668
4-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210024
N-(3-chlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208641
2-(4-ethylpiperazin-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109302379
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690
N-[(2-chlorophenyl)methyl]-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109367173
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
4-(2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109209978
4-N-butyl-2-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079203
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide (CID 109208557) is 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is CCN1CCN(c2ccnc(C(=O)NCc3ccccc3C)c2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is OPJHQPQVTZDYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-10-12-24(13-11-23)18-8-9-21-19(14-18)20(25)22-15-17-7-5-4-6-16(17)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide?
4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109208557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).