N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C20H26N4O — CID 109186597

IUPACN-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCN(C)CC2)cn1)c1cccc(C)c1
InChIInChI=1S/C20H26N4O/c1-4-24(17-7-5-6-16(2)14-17)20(25)19-9-8-18(15-21-19)23-12-10-22(3)11-13-23/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyKWCDLQHXRWNLCH-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.81
Rot. Bonds4

About N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186597) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186597
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1ccc(N2CCN(C)CC2)cn1)c1cccc(C)c1
InChIInChI=1S/C20H26N4O/c1-4-24(17-7-5-6-16(2)14-17)20(25)19-9-8-18(15-21-19)23-12-10-22(3)11-13-23/h5-9,14-15H,4,10-13H2,1-3H3
InChIKeyKWCDLQHXRWNLCH-UHFFFAOYSA-N
XLogP2.81
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(3-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182897
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109192147
5-(dipropylamino)-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109196689
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N,N-diethylpyridine-2-carboxamide
CID 109194309
N-ethyl-N-(3-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288895
N-ethyl-N-(3-methylphenyl)-5-(1-phenylethylamino)pyridine-2-carboxamide
CID 109189083
1-(2-aminoethyl)-N-ethyl-N-(3-methylphenyl)imidazole-4-carboxamide
CID 107497434
2-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010683
6-amino-N-ethyl-N-(3-methylphenyl)pyridazine-3-carboxamide
CID 55041795
N-ethyl-N-(3-methylphenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271148
N-ethyl-5-(3-methylanilino)-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109290010
5-(tert-butylamino)-N-ethyl-N-(3-methylphenyl)pyrazine-2-carboxamide
CID 109287454

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186597) is N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CCN(C(=O)c1ccc(N2CCN(C)CC2)cn1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is KWCDLQHXRWNLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-4-24(17-7-5-6-16(2)14-17)20(25)19-9-8-18(15-21-19)23-12-10-22(3)11-13-23/h5-9,14-15H,4,10-13H2,1-3H3.
What are the key properties of N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).