N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C20H26N4O — CID 109186512

IUPACN-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-4-16-7-5-6-15(2)19(16)22-20(25)18-9-8-17(14-21-18)24-12-10-23(3)11-13-24/h5-9,14H,4,10-13H2,1-3H3,(H,22,25)
InChIKeyIUSJSBQRCDAOBY-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.96
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186512) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186512
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccc(N2CCN(C)CC2)cn1
InChIInChI=1S/C20H26N4O/c1-4-16-7-5-6-15(2)19(16)22-20(25)18-9-8-17(14-21-18)24-12-10-23(3)11-13-24/h5-9,14H,4,10-13H2,1-3H3,(H,22,25)
InChIKeyIUSJSBQRCDAOBY-UHFFFAOYSA-N
XLogP2.96
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109182066
5-(4-acetylpiperazin-1-yl)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109187407
N-(2,6-diethylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182816
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
1-(2-ethyl-6-methylphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]urea
CID 108991582
N-(2-ethyl-6-methylphenyl)-5-methylpyrazine-2-carboxamide
CID 8761786
N-[(2-methylphenyl)methyl]-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188154
N-(2,3-dimethylphenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193453
N-(2,6-diethylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345048
N-(2-ethyl-6-methylphenyl)-6-(4-ethylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116545
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186512) is N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CCc1cccc(C)c1NC(=O)c1ccc(N2CCN(C)CC2)cn1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is IUSJSBQRCDAOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-16-7-5-6-15(2)19(16)22-20(25)18-9-8-17(14-21-18)24-12-10-23(3)11-13-24/h5-9,14H,4,10-13H2,1-3H3,(H,22,25).
What are the key properties of N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.96, 4 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)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).