5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

C14H19N3O3 — CID 51082730

IUPAC5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCC(=O)N2)cn1
InChIInChI=1S/C14H19N3O3/c1-9(2)20-13-6-3-10(7-15-13)8-16-14(19)11-4-5-12(18)17-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBBFMFXHTAOHUOH-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.76
Rot. Bonds5

About 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide

5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 51082730) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID51082730
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)Oc1ccc(CNC(=O)C2CCC(=O)N2)cn1
InChIInChI=1S/C14H19N3O3/c1-9(2)20-13-6-3-10(7-15-13)8-16-14(19)11-4-5-12(18)17-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyBBFMFXHTAOHUOH-UHFFFAOYSA-N
XLogP0.76
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
(2S)-N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 95612225
N-[(3-fluoro-4-propan-2-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 56781412
2-methyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640625
4-N-methyl-1-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 71893034
N-[(4-butan-2-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793549
N-[(4-tert-butylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110793335
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55747251
5-oxo-N-[(1-propan-2-ylbenzimidazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 110794754
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
N-[(6-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290349
3,5-dimethyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]adamantane-1-carboxamide
CID 112829756

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 51082730) is 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is CC(C)Oc1ccc(CNC(=O)C2CCC(=O)N2)cn1.
What is the InChIKey of 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is BBFMFXHTAOHUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(2)20-13-6-3-10(7-15-13)8-16-14(19)11-4-5-12(18)17-11/h3,6-7,9,11H,4-5,8H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide?
5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 51082730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).