1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide

C21H26N2O3 — CID 178166230

IUPAC1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCC2CC(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C21H26N2O3/c1-2-26-11-10-23-15-18(8-9-20(23)24)21(25)22-14-16-12-19(13-16)17-6-4-3-5-7-17/h3-9,15-16,19H,2,10-14H2,1H3,(H,22,25)
InChIKeyYSDVPCQFYVOLDP-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.81
Rot. Bonds8

About 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide

1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide (PubChem CID 178166230) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide
PubChem CID178166230
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCC2CC(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C21H26N2O3/c1-2-26-11-10-23-15-18(8-9-20(23)24)21(25)22-14-16-12-19(13-16)17-6-4-3-5-7-17/h3-9,15-16,19H,2,10-14H2,1H3,(H,22,25)
InChIKeyYSDVPCQFYVOLDP-UHFFFAOYSA-N
XLogP2.81
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethoxyethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166177
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 178166149
1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166263
N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 45487786
1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166160
1-[2-(dimethylamino)ethyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166240
1-(3-ethoxycyclobutyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166137
1-methyl-6-oxo-N-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyridine-3-carboxamide
CID 74246029
1-(2-methoxyethyl)-6-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyridine-3-carboxamide
CID 47049078
N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 178166100
1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 178166143

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide (CID 178166230) is 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)NCC2CC(c3ccccc3)C2)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide?
The InChIKey is YSDVPCQFYVOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-2-26-11-10-23-15-18(8-9-20(23)24)21(25)22-14-16-12-19(13-16)17-6-4-3-5-7-17/h3-9,15-16,19H,2,10-14H2,1H3,(H,22,25).
What are the key properties of 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178166230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).