ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate

C23H23N3O4 — CID 171393880

IUPACethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1N
InChIInChI=1S/C23H23N3O4/c1-2-30-23(29)18-13-19(21(27)25-14-16-9-5-3-6-10-16)22(28)26(20(18)24)15-17-11-7-4-8-12-17/h3-13H,2,14-15,24H2,1H3,(H,25,27)
InChIKeyFUHRBONZRSMSPN-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.59
Rot. Bonds7

About ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate

ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate (PubChem CID 171393880) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate
PubChem CID171393880
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Nameethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1N
InChIInChI=1S/C23H23N3O4/c1-2-30-23(29)18-13-19(21(27)25-14-16-9-5-3-6-10-16)22(28)26(20(18)24)15-17-11-7-4-8-12-17/h3-13H,2,14-15,24H2,1H3,(H,25,27)
InChIKeyFUHRBONZRSMSPN-UHFFFAOYSA-N
XLogP2.59
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate (CID 171393880) is ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1cc(C(=O)NCc2ccccc2)c(=O)n(Cc2ccccc2)c1N.
What is the InChIKey of ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate?
The InChIKey is FUHRBONZRSMSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-30-23(29)18-13-19(21(27)25-14-16-9-5-3-6-10-16)22(28)26(20(18)24)15-17-11-7-4-8-12-17/h3-13H,2,14-15,24H2,1H3,(H,25,27).
What are the key properties of ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate?
ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-1-benzyl-5-(benzylcarbamoyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 171393880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).