6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide

C30H32N4O4 — CID 25218733

IUPAC6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2ccc(OC)nc2OC)n1
InChIInChI=1S/C30H32N4O4/c1-4-34(21-22-11-7-5-8-12-22)26-17-15-24(29(35)31-19-20-38-23-13-9-6-10-14-23)28(32-26)25-16-18-27(36-2)33-30(25)37-3/h5-18H,4,19-21H2,1-3H3,(H,31,35)
InChIKeyDPISCHMOAFKKEG-UHFFFAOYSA-N
MW512.61 g/mol
LogP5.00
Rot. Bonds12

About 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide

6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide (PubChem CID 25218733) has the molecular formula C30H32N4O4 and a molecular weight of 512.61 g/mol. Its IUPAC name is 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
PubChem CID25218733
Molecular FormulaC30H32N4O4
Molecular Weight512.61 g/mol
Exact Mass512.24
IUPAC Name6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
SMILESCCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2ccc(OC)nc2OC)n1
InChIInChI=1S/C30H32N4O4/c1-4-34(21-22-11-7-5-8-12-22)26-17-15-24(29(35)31-19-20-38-23-13-9-6-10-14-23)28(32-26)25-16-18-27(36-2)33-30(25)37-3/h5-18H,4,19-21H2,1-3H3,(H,31,35)
InChIKeyDPISCHMOAFKKEG-UHFFFAOYSA-N
XLogP5.00
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide (CID 25218733) is 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide is CCN(Cc1ccccc1)c1ccc(C(=O)NCCOc2ccccc2)c(-c2ccc(OC)nc2OC)n1.
What is the InChIKey of 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide?
The InChIKey is DPISCHMOAFKKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O4/c1-4-34(21-22-11-7-5-8-12-22)26-17-15-24(29(35)31-19-20-38-23-13-9-6-10-14-23)28(32-26)25-16-18-27(36-2)33-30(25)37-3/h5-18H,4,19-21H2,1-3H3,(H,31,35).
What are the key properties of 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide?
6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide has a molecular weight of 512.61 g/mol, XLogP of 5.00, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[benzyl(ethyl)amino]-2-(2,6-dimethoxy-3-pyridinyl)-N-(2-phenoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25218733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).