[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate

C23H23N3O5 — CID 71082958

IUPAC[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCC(=O)c3ccc(OC)cc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C23H23N3O5/c1-4-15-10-20(14(2)26-22(15)28)17-9-19(12-24-11-17)31-23(29)25-13-21(27)16-5-7-18(30-3)8-6-16/h5-12H,4,13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyUVGUUXYEGMQBIC-UHFFFAOYSA-N
MW421.45 g/mol
LogP3.29
Rot. Bonds7

About [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate (PubChem CID 71082958) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
PubChem CID71082958
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC Name[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate
SMILESCCc1cc(-c2cncc(OC(=O)NCC(=O)c3ccc(OC)cc3)c2)c(C)[nH]c1=O
InChIInChI=1S/C23H23N3O5/c1-4-15-10-20(14(2)26-22(15)28)17-9-19(12-24-11-17)31-23(29)25-13-21(27)16-5-7-18(30-3)8-6-16/h5-12H,4,13H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyUVGUUXYEGMQBIC-UHFFFAOYSA-N
XLogP3.29
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-(2-methoxyethyl)carbamate
CID 71082953
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]carbamate
CID 89258568
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 58808771
N-(2-amino-2-oxoethyl)-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808769
5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-N-(2-hydroxy-2-phenylethyl)pyridine-3-carboxamide
CID 58808756
N-[(4-cyanocyclohexyl)methyl]-5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)pyridine-3-carboxamide
CID 58808518
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylpropanamide
CID 94262490
N-[2-(4-methoxyphenyl)-2-oxoethyl]-2-(1H-pyrazol-5-yl)acetamide
CID 84591726
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate
CID 169110497
4-(4-methoxyphenyl)-N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415351
3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
CID 118005009

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
The IUPAC name of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate (CID 71082958) is [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate.
What is the SMILES notation for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
The canonical SMILES for [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate is CCc1cc(-c2cncc(OC(=O)NCC(=O)c3ccc(OC)cc3)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-(4-methoxyphenyl)-2-oxoethyl]carbamate?
The InChIKey is UVGUUXYEGMQBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-4-15-10-20(14(2)26-22(15)28)17-9-19(12-24-11-17)31-23(29)25-13-21(27)16-5-7-18(30-3)8-6-16/h5-12H,4,13H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of [5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate?
[5-(5-ethyl-2-methyl-6-oxo-1H-pyridin-3-yl)-3-pyridinyl] N-[2-(4-methoxyphenyl)-2-oxoethyl]carbamate has a molecular weight of 421.45 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-(4-methoxyphenyl)-2-oxoethyl]carbamate is sourced from PubChem (CID 71082958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).