N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide

C18H20FN3O — CID 124752690

IUPACN-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1c1ccccn1)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c19-14-5-3-6-15(13-14)21-18(23)9-12-22-11-4-8-17(22)16-7-1-2-10-20-16/h1-3,5-7,10,13,17H,4,8-9,11-12H2,(H,21,23)/t17-/m0/s1
InChIKeyKDGRVQRCHRPFML-KRWDZBQOSA-N
MW313.38 g/mol
LogP3.39
Rot. Bonds5

About N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide

N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide (PubChem CID 124752690) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide
PubChem CID124752690
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide
SMILESO=C(CCN1CCC[C@H]1c1ccccn1)Nc1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c19-14-5-3-6-15(13-14)21-18(23)9-12-22-11-4-8-17(22)16-7-1-2-10-20-16/h1-3,5-7,10,13,17H,4,8-9,11-12H2,(H,21,23)/t17-/m0/s1
InChIKeyKDGRVQRCHRPFML-KRWDZBQOSA-N
XLogP3.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-[(2R)-2-pyridin-2-ylpiperidin-1-yl]propanamide
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CID 71846093
N-(3-fluorophenyl)-3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62736577
methyl 3-[3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanoylamino]thiophene-2-carboxylate
CID 95123044
N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(3-fluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 43037946
2-(2-pyridin-2-ylpyrrolidin-1-yl)acetic acid
CID 131863720
N-(4-fluorophenyl)-2-[2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 110252150
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
2-[(2R)-1-[2-(3,5-difluorophenyl)ethyl]piperidin-2-yl]pyridine
CID 29084179
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide?
The IUPAC name of N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide (CID 124752690) is N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide is O=C(CCN1CCC[C@H]1c1ccccn1)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide?
The InChIKey is KDGRVQRCHRPFML-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-5-3-6-15(13-14)21-18(23)9-12-22-11-4-8-17(22)16-7-1-2-10-20-16/h1-3,5-7,10,13,17H,4,8-9,11-12H2,(H,21,23)/t17-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide?
N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide has a molecular weight of 313.38 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]propanamide is sourced from PubChem (CID 124752690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).