1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide

C19H21FN2O3 — CID 178166143

IUPAC1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc(F)c1=O
InChIInChI=1S/C19H21FN2O3/c1-2-25-9-8-22-12-14(10-16(20)19(22)24)18(23)21-17-11-15(17)13-6-4-3-5-7-13/h3-7,10,12,15,17H,2,8-9,11H2,1H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyOWUDRPZEDOFZQZ-DOTOQJQBSA-N
MW344.39 g/mol
LogP2.31
Rot. Bonds7

About 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide

1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide (PubChem CID 178166143) has the molecular formula C19H21FN2O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
PubChem CID178166143
Molecular FormulaC19H21FN2O3
Molecular Weight344.39 g/mol
Exact Mass344.15
IUPAC Name1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc(F)c1=O
InChIInChI=1S/C19H21FN2O3/c1-2-25-9-8-22-12-14(10-16(20)19(22)24)18(23)21-17-11-15(17)13-6-4-3-5-7-13/h3-7,10,12,15,17H,2,8-9,11H2,1H3,(H,21,23)/t15-,17+/m0/s1
InChIKeyOWUDRPZEDOFZQZ-DOTOQJQBSA-N
XLogP2.31
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.31
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
4-fluoro-3-methyl-N-(2-phenylcyclopropyl)benzamide
CID 63213326
N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 7350127
2-fluoro-5-methyl-N-(2-phenylcyclopropyl)benzamide
CID 62513017
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
CID 178166229
1-(2-ethoxyethyl)-6-oxo-N-[(3-phenylcyclobutyl)methyl]pyridine-3-carboxamide
CID 178166230
3-methyl-N-[(1R,2S)-2-phenylcyclopropyl]-1-propylpyrazole-4-carboxamide
CID 74242834
1-methyl-N-(2-phenylcyclopropyl)pyrrole-2-carboxamide
CID 86768199
2-(3-ethoxypropyl)-1-(2-phenylcyclopropyl)guanidine
CID 111046101
5-fluoro-2-hydroxy-N-(2-phenylcyclopropyl)benzamide
CID 79881801
N-[(1R,2R)-2-phenylcyclopropyl]acetamide
CID 6954168
3-hydroxy-1-methyl-2-oxo-N-[(1S,2R)-2-phenylcyclopropyl]quinoline-4-carboxamide
CID 90355740

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide (CID 178166143) is 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc(F)c1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide?
The InChIKey is OWUDRPZEDOFZQZ-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H21FN2O3/c1-2-25-9-8-22-12-14(10-16(20)19(22)24)18(23)21-17-11-15(17)13-6-4-3-5-7-13/h3-7,10,12,15,17H,2,8-9,11H2,1H3,(H,21,23)/t15-,17+/m0/s1.
What are the key properties of 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide has a molecular weight of 344.39 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 178166143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).