N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide

C21H28N4O2 — CID 18663113

IUPACN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)c(OC)nc1C
InChIInChI=1S/C21H28N4O2/c1-5-17-14-19(20(27-4)22-16(17)3)23-21(26)25-12-10-24(11-13-25)18-8-6-15(2)7-9-18/h6-9,14H,5,10-13H2,1-4H3,(H,23,26)
InChIKeyFDJHFRMXZBQAPV-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.62
Rot. Bonds4

About N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 18663113) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID18663113
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)c(OC)nc1C
InChIInChI=1S/C21H28N4O2/c1-5-17-14-19(20(27-4)22-16(17)3)23-21(26)25-12-10-24(11-13-25)18-8-6-15(2)7-9-18/h6-9,14H,5,10-13H2,1-4H3,(H,23,26)
InChIKeyFDJHFRMXZBQAPV-UHFFFAOYSA-N
XLogP3.62
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
CID 18663078
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
4-(5-chloro-2-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663114
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-prop-1-en-2-ylphenyl)piperazine-1-carboxamide
CID 19357014
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carbothioamide
CID 54396849
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-piperazin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 57027576
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 67667638

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide (CID 18663113) is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3ccc(C)cc3)CC2)c(OC)nc1C.
What is the InChIKey of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is FDJHFRMXZBQAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-5-17-14-19(20(27-4)22-16(17)3)23-21(26)25-12-10-24(11-13-25)18-8-6-15(2)7-9-18/h6-9,14H,5,10-13H2,1-4H3,(H,23,26).
What are the key properties of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide?
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).