2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid

C23H30N4O7 — CID 21111621

IUPAC2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCCc1nc(OC)c(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C(=O)O
InChIInChI=1S/C23H30N4O7/c1-6-16-15(22(28)29)13-17(21(24-16)34-5)25-23(30)27-9-7-26(8-10-27)14-11-18(31-2)20(33-4)19(12-14)32-3/h11-13H,6-10H2,1-5H3,(H,25,30)(H,28,29)
InChIKeyFWBVBCCKUURQAZ-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.73
Rot. Bonds8

About 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid

2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid (PubChem CID 21111621) has the molecular formula C23H30N4O7 and a molecular weight of 474.51 g/mol. Its IUPAC name is 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid
PubChem CID21111621
Molecular FormulaC23H30N4O7
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid
SMILESCCc1nc(OC)c(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C(=O)O
InChIInChI=1S/C23H30N4O7/c1-6-16-15(22(28)29)13-17(21(24-16)34-5)25-23(30)27-9-7-26(8-10-27)14-11-18(31-2)20(33-4)19(12-14)32-3/h11-13H,6-10H2,1-5H3,(H,25,30)(H,28,29)
InChIKeyFWBVBCCKUURQAZ-UHFFFAOYSA-N
XLogP2.73
TPSA122.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(3-hydroxy-4-methoxyphenyl)piperazine-1-carboxamide
CID 18663099
N-(5-chloro-2-methylphenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 3445591
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
4-(3-chloro-4-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663096
N-(5-acetyl-2-methoxy-6-methyl-3-pyridinyl)-4-(3,5-difluorophenyl)piperazine-1-carboxamide
CID 19357175
N-(6-chloro-3-methoxyquinoxalin-2-yl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 69243801
N-tert-butyl-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113110457
N-(3-bromophenyl)-4-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 23991152
4-(3,5-dichlorophenyl)-N-(2-methoxy-5,6-dimethyl-3-pyridinyl)piperazine-1-carboxamide
CID 67667638
N-[5-[[1-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]-1-oxopropan-2-yl]carbamoyl]-6-ethyl-2-methoxy-3-pyridinyl]-4-(3-hydroxyphenyl)piperazine-1-carboxamide
CID 86600879
2-chloro-1-[4-(3,4,5-trimethoxyphenyl)piperazin-1-yl]ethanone
CID 4670659

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid (CID 21111621) is 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid is CCc1nc(OC)c(NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid?
The InChIKey is FWBVBCCKUURQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O7/c1-6-16-15(22(28)29)13-17(21(24-16)34-5)25-23(30)27-9-7-26(8-10-27)14-11-18(31-2)20(33-4)19(12-14)32-3/h11-13H,6-10H2,1-5H3,(H,25,30)(H,28,29).
What are the key properties of 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid?
2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid has a molecular weight of 474.51 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxy-5-[[4-(3,4,5-trimethoxyphenyl)piperazine-1-carbonyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 21111621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).