1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

C19H28FN3O2 — CID 75382089

IUPAC1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)NC2CCN(c3ncccc3F)C2)CCCC1
InChIInChI=1S/C19H28FN3O2/c1-2-25-13-10-19(8-3-4-9-19)18(24)22-15-7-12-23(14-15)17-16(20)6-5-11-21-17/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,22,24)
InChIKeyOTSVNRHPFTYHKK-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.90
Rot. Bonds7

About 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide

1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 75382089) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID75382089
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Name1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCCOCCC1(C(=O)NC2CCN(c3ncccc3F)C2)CCCC1
InChIInChI=1S/C19H28FN3O2/c1-2-25-13-10-19(8-3-4-9-19)18(24)22-15-7-12-23(14-15)17-16(20)6-5-11-21-17/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,22,24)
InChIKeyOTSVNRHPFTYHKK-UHFFFAOYSA-N
XLogP2.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.90
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

2-(3-ethoxycyclobutyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 126776040
N-[1-(3-fluoro-2-pyridinyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357585
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 53185662
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-(methylcarbamoylamino)azetidine-1-carboxamide
CID 119051968
2-chloro-6-fluoro-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 71921906
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]urea
CID 97222896
N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-4-oxo-1H-pyridine-2-carboxamide
CID 136564462
1-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 75448750
methyl 1-(3-fluoro-2-pyridinyl)piperidine-3-carboxylate
CID 115538419
N-[[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]ethanamine
CID 55111529
5-[(2,4-dimethylphenoxy)methyl]-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]furan-2-carboxamide
CID 139012930
N-[(3S)-1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]pentane-1-sulfonamide
CID 97306329

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 75382089) is 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is CCOCCC1(C(=O)NC2CCN(c3ncccc3F)C2)CCCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is OTSVNRHPFTYHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-2-25-13-10-19(8-3-4-9-19)18(24)22-15-7-12-23(14-15)17-16(20)6-5-11-21-17/h5-6,11,15H,2-4,7-10,12-14H2,1H3,(H,22,24).
What are the key properties of 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide?
1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide has a molecular weight of 349.45 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[1-(3-fluoro-2-pyridinyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 75382089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).