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

C23H32N4O5 — CID 18663089

IUPACN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)nc1C
InChIInChI=1S/C23H32N4O5/c1-7-16-12-18(22(32-6)24-15(16)2)25-23(28)27-10-8-26(9-11-27)17-13-19(29-3)21(31-5)20(14-17)30-4/h12-14H,7-11H2,1-6H3,(H,25,28)
InChIKeyRUYVIABNSDQSIM-UHFFFAOYSA-N
MW444.53 g/mol
LogP3.34
Rot. Bonds7

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

N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 18663089) has the molecular formula C23H32N4O5 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID18663089
Molecular FormulaC23H32N4O5
Molecular Weight444.53 g/mol
Exact Mass444.24
IUPAC NameN-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCCc1cc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)nc1C
InChIInChI=1S/C23H32N4O5/c1-7-16-12-18(22(32-6)24-15(16)2)25-23(28)27-10-8-26(9-11-27)17-13-19(29-3)21(31-5)20(14-17)30-4/h12-14H,7-11H2,1-6H3,(H,25,28)
InChIKeyRUYVIABNSDQSIM-UHFFFAOYSA-N
XLogP3.34
TPSA85.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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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-(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
2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid
CID 21111621
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 18663086
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
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-6-methyl-2-phenoxy-3-pyridinyl)piperazine-1-carboxamide
CID 18663143
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-hydroxy-4-methylphenyl)piperazine-1-carboxamide
CID 18663078
4-(3,5-dimethoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carbothioamide
CID 54396849
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(2-prop-1-en-2-ylphenyl)piperazine-1-carboxamide
CID 19357014
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-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 18663089) is N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is CCc1cc(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c(OC)nc1C.
What is the InChIKey of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is RUYVIABNSDQSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O5/c1-7-16-12-18(22(32-6)24-15(16)2)25-23(28)27-10-8-26(9-11-27)17-13-19(29-3)21(31-5)20(14-17)30-4/h12-14H,7-11H2,1-6H3,(H,25,28).
What are the key properties of N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 18663089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).