[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate

C17H21N3O4 — CID 71082953

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCOC)c2)c(C)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-4-12-8-15(11(2)20-16(12)21)13-7-14(10-18-9-13)24-17(22)19-5-6-23-3/h7-10H,4-6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZZSJICCPKVBORC-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.04
Rot. Bonds6

About [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate (PubChem CID 71082953) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
PubChem CID71082953
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCCOC)c2)c(C)[nH]c1=O
InChIInChI=1S/C17H21N3O4/c1-4-12-8-15(11(2)20-16(12)21)13-7-14(10-18-9-13)24-17(22)19-5-6-23-3/h7-10H,4-6H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyZZSJICCPKVBORC-UHFFFAOYSA-N
XLogP2.04
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate (CID 71082953) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate is CCc1cc(-c2cncc(OC(=O)NCCOC)c2)c(C)[nH]c1=O.
What is the InChIKey of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate?
The InChIKey is ZZSJICCPKVBORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-4-12-8-15(11(2)20-16(12)21)13-7-14(10-18-9-13)24-17(22)19-5-6-23-3/h7-10H,4-6H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate has a molecular weight of 331.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate is sourced from PubChem (CID 71082953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).