(2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

C21H22FN3O3 — CID 110198985

IUPAC(2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C21H22FN3O3/c22-15-4-1-3-14(9-15)10-20(26)25-13-18(28-17-5-2-8-23-12-17)11-19(25)21(27)24-16-6-7-16/h1-5,8-9,12,16,18-19H,6-7,10-11,13H2,(H,24,27)/t18-,19-/m0/s1
InChIKeyCRSTUBSULLBOQJ-OALUTQOASA-N
MW383.42 g/mol
LogP2.09
Rot. Bonds6

About (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide

(2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (PubChem CID 110198985) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
PubChem CID110198985
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC Name(2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide
SMILESO=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)Cc1cccc(F)c1
InChIInChI=1S/C21H22FN3O3/c22-15-4-1-3-14(9-15)10-20(26)25-13-18(28-17-5-2-8-23-12-17)11-19(25)21(27)24-16-6-7-16/h1-5,8-9,12,16,18-19H,6-7,10-11,13H2,(H,24,27)/t18-,19-/m0/s1
InChIKeyCRSTUBSULLBOQJ-OALUTQOASA-N
XLogP2.09
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 24765479
Tta-A2
CID 53317097
2-[4-[(3S)-3-fluoropyrrolidin-1-yl]phenyl]-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
CID 24765959
2-(4-propan-2-ylphenyl)-N-[(1R)-1-(5-propoxy-2-pyridinyl)ethyl]acetamide
CID 24765020
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467270
2-[3-(3-fluorophenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467497
N-cyclopropyl-2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 44467917
2-[3-(3-methoxyphenyl)-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 44467978
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-oxo-7-(3-piperidin-1-ylpropoxy)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
CID 44467979
(4-cyclobutyl-1,4-diazepan-1-yl)((2R,4S)-4-(pyridin-3-yloxy)pyrrolidin-2-yl)methanone
CID 46888329
N-{3-[4-(6-Isopropoxypyridin-3-yloxy)phenyl]-1-methylpropyl}cyclopropanecarboxamide
CID 49855401
N-[(2S)-4-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]butan-2-yl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide (CID 110198985) is (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is O=C(NC1CC1)[C@@H]1C[C@H](Oc2cccnc2)CN1C(=O)Cc1cccc(F)c1.
What is the InChIKey of (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
The InChIKey is CRSTUBSULLBOQJ-OALUTQOASA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-15-4-1-3-14(9-15)10-20(26)25-13-18(28-17-5-2-8-23-12-17)11-19(25)21(27)24-16-6-7-16/h1-5,8-9,12,16,18-19H,6-7,10-11,13H2,(H,24,27)/t18-,19-/m0/s1.
What are the key properties of (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide?
(2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cyclopropyl-1-[2-(3-fluorophenyl)acetyl]-4-pyridin-3-yloxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110198985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).