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

C22H28N2O3 — CID 178166149

IUPAC1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCC2(CCc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C22H28N2O3/c1-2-27-15-14-24-16-19(8-9-20(24)25)21(26)23-17-22(12-13-22)11-10-18-6-4-3-5-7-18/h3-9,16H,2,10-15,17H2,1H3,(H,23,26)
InChIKeyDOUGLEOHQRBLQJ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.03
Rot. Bonds10

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

1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 178166149) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID178166149
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NCC2(CCc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C22H28N2O3/c1-2-27-15-14-24-16-19(8-9-20(24)25)21(26)23-17-22(12-13-22)11-10-18-6-4-3-5-7-18/h3-9,16H,2,10-15,17H2,1H3,(H,23,26)
InChIKeyDOUGLEOHQRBLQJ-UHFFFAOYSA-N
XLogP3.03
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.03
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)methyl]pyridine-3-carboxamide
CID 178166230
1-(2-ethoxyethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166177
N-[(2,4-dichlorophenyl)methyl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 45487786
1-(2-methoxyethyl)-6-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47062505
N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 178166100
N-[(1-propylcyclopropyl)methyl]benzamide
CID 103762150
1-methyl-6-oxo-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 56813252
4-(aminomethyl)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]benzamide;hydrochloride
CID 119339941
1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 47059590
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
1-(2-ethoxyethyl)-N-[(1-hydroxycyclohexyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70782291
4-(2-ethoxyethoxy)-N-(2-phenylethyl)benzamide
CID 17112545

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 178166149) is 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)NCC2(CCc3ccccc3)CC2)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is DOUGLEOHQRBLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-2-27-15-14-24-16-19(8-9-20(24)25)21(26)23-17-22(12-13-22)11-10-18-6-4-3-5-7-18/h3-9,16H,2,10-15,17H2,1H3,(H,23,26).
What are the key properties of 1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-6-oxo-N-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.03, 10 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-[[1-(2-phenylethyl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 178166149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).