1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide

C20H23N3O3 — CID 178166263

IUPAC1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
SMILESCC(=O)NCCn1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C20H23N3O3/c1-14(24)21-9-10-23-13-16(7-8-19(23)25)20(26)22-18-11-17(12-18)15-5-3-2-4-6-15/h2-8,13,17-18H,9-12H2,1H3,(H,21,24)(H,22,26)
InChIKeySGZDOWJKAZQZOQ-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.66
Rot. Bonds6

About 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide

1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide (PubChem CID 178166263) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
PubChem CID178166263
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
SMILESCC(=O)NCCn1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C20H23N3O3/c1-14(24)21-9-10-23-13-16(7-8-19(23)25)20(26)22-18-11-17(12-18)15-5-3-2-4-6-15/h2-8,13,17-18H,9-12H2,1H3,(H,21,24)(H,22,26)
InChIKeySGZDOWJKAZQZOQ-UHFFFAOYSA-N
XLogP1.66
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166240
1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166160
1-(2-ethoxyethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166177
1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide
CID 178166230
1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166137
N-[2-[(3-phenylcyclobutyl)amino]ethyl]acetamide
CID 43632255
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
2-(2-methoxyethylamino)-N-(3-phenylcyclobutyl)acetamide
CID 119774808
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95335220

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide (CID 178166263) is 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide is CC(=O)NCCn1cc(C(=O)NC2CC(c3ccccc3)C2)ccc1=O.
What is the InChIKey of 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is SGZDOWJKAZQZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14(24)21-9-10-23-13-16(7-8-19(23)25)20(26)22-18-11-17(12-18)15-5-3-2-4-6-15/h2-8,13,17-18H,9-12H2,1H3,(H,21,24)(H,22,26).
What are the key properties of 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide?
1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 178166263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).