(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C19H20FN3O3 — CID 42198821

IUPAC(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C19H20FN3O3/c1-13(24)23-11-5-8-16(23)18(25)22-12-14-6-4-10-21-19(14)26-17-9-3-2-7-15(17)20/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyVRRKAUJWUUCSIA-INIZCTEOSA-N
MW357.38 g/mol
LogP2.64
Rot. Bonds5

About (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 42198821) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID42198821
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F
InChIInChI=1S/C19H20FN3O3/c1-13(24)23-11-5-8-16(23)18(25)22-12-14-6-4-10-21-19(14)26-17-9-3-2-7-15(17)20/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,22,25)/t16-/m0/s1
InChIKeyVRRKAUJWUUCSIA-INIZCTEOSA-N
XLogP2.64
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
methyl 2-[(2-fluorophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 110754462
1-(2,2-dimethylpropanoyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55614007
(3R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 95193249
(2R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-pyrrol-1-ylpropanamide
CID 95197720
1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 647975
(2S)-2-N-[(2-fluorophenyl)methyl]-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468858
4-acetamido-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 56739016
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429
(3S)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200428
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 42198821) is (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F.
What is the InChIKey of (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is VRRKAUJWUUCSIA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-13(24)23-11-5-8-16(23)18(25)22-12-14-6-4-10-21-19(14)26-17-9-3-2-7-15(17)20/h2-4,6-7,9-10,16H,5,8,11-12H2,1H3,(H,22,25)/t16-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 42198821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).