N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide

C20H26N4O — CID 109186763

IUPACN-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)nc2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-11-13-24(14-12-23)18-9-10-19(21-15-18)20(25)22(2)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyHICIERRSACNPFW-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.50
Rot. Bonds5

About N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide

N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide (PubChem CID 109186763) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
PubChem CID109186763
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)nc2)CC1
InChIInChI=1S/C20H26N4O/c1-3-23-11-13-24(14-12-23)18-9-10-19(21-15-18)20(25)22(2)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3
InChIKeyHICIERRSACNPFW-UHFFFAOYSA-N
XLogP2.50
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
N-benzyl-5-(2-ethylpiperidin-1-yl)-N-methylpyridine-2-carboxamide
CID 109189130
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191
N-benzyl-N-methyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109281129
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
CID 108518814
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-benzyl-5-(tert-butylamino)-N-methylpyridine-2-carboxamide
CID 109189123
N-butyl-N-methyl-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182041
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-butyl-5-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 109194360
5-(4-benzylpiperazin-1-yl)-N-tert-butylpyridine-2-carboxamide
CID 109193366

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide (CID 109186763) is N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide is CCN1CCN(c2ccc(C(=O)N(C)Cc3ccccc3)nc2)CC1.
What is the InChIKey of N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide?
The InChIKey is HICIERRSACNPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-23-11-13-24(14-12-23)18-9-10-19(21-15-18)20(25)22(2)16-17-7-5-4-6-8-17/h4-10,15H,3,11-14,16H2,1-2H3.
What are the key properties of N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide?
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109186763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).