6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide

C19H22FN3O2 — CID 75371100

IUPAC6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCC(c3cccc(F)c3)C2)nc1
InChIInChI=1S/C19H22FN3O2/c1-25-10-8-21-19(24)15-5-6-18(22-12-15)23-9-7-16(13-23)14-3-2-4-17(20)11-14/h2-6,11-12,16H,7-10,13H2,1H3,(H,21,24)
InChIKeyZPMJXVLZXNAFBO-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.59
Rot. Bonds6

About 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 75371100) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID75371100
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(N2CCC(c3cccc(F)c3)C2)nc1
InChIInChI=1S/C19H22FN3O2/c1-25-10-8-21-19(24)15-5-6-18(22-12-15)23-9-7-16(13-23)14-3-2-4-17(20)11-14/h2-6,11-12,16H,7-10,13H2,1H3,(H,21,24)
InChIKeyZPMJXVLZXNAFBO-UHFFFAOYSA-N
XLogP2.59
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.59
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

6-[4-(2-fluoroanilino)piperidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133330872
6-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153028
6-(azepan-1-yl)-N-[2-(4-fluorophenoxy)ethyl]pyridine-3-carboxamide
CID 37360268
N-(2-methoxyethyl)-4-(6-thiomorpholin-4-yl-3-pyridinyl)benzamide
CID 53149964
N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 95105620
ethyl 6-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]pyridine-3-carboxylate
CID 39820595
2-[1-(3-fluorobenzoyl)piperidin-4-yl]-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42851947
N-[1-[5-[cyclopropylmethyl(methyl)carbamoyl]-2-pyridinyl]piperidin-4-yl]-6-(3-fluorophenyl)pyridine-3-carboxamide
CID 67267282
6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
CID 56749115
1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 42829590
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 146153254
[6-(benzimidazol-1-yl)-3-pyridinyl]-[3-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 146086211

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 75371100) is 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(N2CCC(c3cccc(F)c3)C2)nc1.
What is the InChIKey of 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is ZPMJXVLZXNAFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-25-10-8-21-19(24)15-5-6-18(22-12-15)23-9-7-16(13-23)14-3-2-4-17(20)11-14/h2-6,11-12,16H,7-10,13H2,1H3,(H,21,24).
What are the key properties of 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 75371100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).