(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C17H17N3O3 — CID 25288592

IUPAC(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2cccnc2Oc2ccccc2)N1
InChIInChI=1S/C17H17N3O3/c21-15-9-8-14(20-15)16(22)19-11-12-5-4-10-18-17(12)23-13-6-2-1-3-7-13/h1-7,10,14H,8-9,11H2,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyQNKHVBSUOBOIJE-AWEZNQCLSA-N
MW311.34 g/mol
LogP1.77
Rot. Bonds5

About (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 25288592) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID25288592
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESO=C1CC[C@@H](C(=O)NCc2cccnc2Oc2ccccc2)N1
InChIInChI=1S/C17H17N3O3/c21-15-9-8-14(20-15)16(22)19-11-12-5-4-10-18-17(12)23-13-6-2-1-3-7-13/h1-7,10,14H,8-9,11H2,(H,19,22)(H,20,21)/t14-/m0/s1
InChIKeyQNKHVBSUOBOIJE-AWEZNQCLSA-N
XLogP1.77
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[2-(4-methylphenoxy)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95346618
N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110689662
(2S)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 56756996
N-[(2-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110475894
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 42518073
N-[(2-methoxy-3-pyridinyl)methyl]-5-oxopiperazine-2-carboxamide
CID 107434749
6-methyl-N-[(2-phenoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 42458039
(3R)-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-6,6-dimethyl-5-oxothiomorpholine-3-carboxamide
CID 95193249
(2R)-5-oxo-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97079995
(2R)-N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 52535677
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]morpholine-3-carboxamide
CID 119847828
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215

Frequently Asked Questions

What is the IUPAC name of (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 25288592) is (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is O=C1CC[C@@H](C(=O)NCc2cccnc2Oc2ccccc2)N1.
What is the InChIKey of (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is QNKHVBSUOBOIJE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-15-9-8-14(20-15)16(22)19-11-12-5-4-10-18-17(12)23-13-6-2-1-3-7-13/h1-7,10,14H,8-9,11H2,(H,19,22)(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 25288592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).