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

C21H28N4O3 — CID 18663078

IUPACN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3ccc(C)cc3O)CC2)c(OC)nc1C
InChIInChI=1S/C21H28N4O3/c1-5-16-13-17(20(28-4)22-15(16)3)23-21(27)25-10-8-24(9-11-25)18-7-6-14(2)12-19(18)26/h6-7,12-13,26H,5,8-11H2,1-4H3,(H,23,27)
InChIKeyXTVHVNFOIBXVRX-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.33
Rot. Bonds4

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

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide (PubChem CID 18663078) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
PubChem CID18663078
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3ccc(C)cc3O)CC2)c(OC)nc1C
InChIInChI=1S/C21H28N4O3/c1-5-16-13-17(20(28-4)22-15(16)3)23-21(27)25-10-8-24(9-11-25)18-7-6-14(2)12-19(18)26/h6-7,12-13,26H,5,8-11H2,1-4H3,(H,23,27)
InChIKeyXTVHVNFOIBXVRX-UHFFFAOYSA-N
XLogP3.33
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
4-(5-chloro-2-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663114
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-prop-1-en-2-ylphenyl)piperazine-1-carboxamide
CID 19357014
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 18663089
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
4-(3,5-difluorophenyl)-N-(2-methoxy-6-methyl-5-propyl-3-pyridinyl)piperazine-1-carboxamide
CID 19357182
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carbothioamide
CID 54396849
4-(2,3-dimethylphenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663052
N-(2-methoxy-6-methyl-5-propan-2-yl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663153

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide (CID 18663078) is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3ccc(C)cc3O)CC2)c(OC)nc1C.
What is the InChIKey of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is XTVHVNFOIBXVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-5-16-13-17(20(28-4)22-15(16)3)23-21(27)25-10-8-24(9-11-25)18-7-6-14(2)12-19(18)26/h6-7,12-13,26H,5,8-11H2,1-4H3,(H,23,27).
What are the key properties of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide?
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).