ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate

C18H19N3O4 — CID 2377324

IUPACethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(C)nc1C
InChIInChI=1S/C18H19N3O4/c1-4-25-18(24)15-10-14(11(2)19-12(15)3)17(23)21-20-16(22)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDMDMPBTYBWRMAV-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.95
Rot. Bonds4

About ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate

ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 2377324) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate
PubChem CID2377324
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(C)nc1C
InChIInChI=1S/C18H19N3O4/c1-4-25-18(24)15-10-14(11(2)19-12(15)3)17(23)21-20-16(22)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyDMDMPBTYBWRMAV-UHFFFAOYSA-N
XLogP1.95
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate (CID 2377324) is ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)NNC(=O)c2ccccc2)c(C)nc1C.
What is the InChIKey of ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is DMDMPBTYBWRMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-4-25-18(24)15-10-14(11(2)19-12(15)3)17(23)21-20-16(22)13-8-6-5-7-9-13/h5-10H,4H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(benzamidocarbamoyl)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 2377324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).