1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

C12H15N3O3 — CID 168696642

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ncccc1CN1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H15N3O3/c1-18-12-8(3-2-4-14-12)6-15-7-9(11(13)17)5-10(15)16/h2-4,9H,5-7H2,1H3,(H2,13,17)
InChIKeyBWGCONNKUVSBKL-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.08
Rot. Bonds4

About 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide

1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 168696642) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID168696642
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ncccc1CN1CC(C(N)=O)CC1=O
InChIInChI=1S/C12H15N3O3/c1-18-12-8(3-2-4-14-12)6-15-7-9(11(13)17)5-10(15)16/h2-4,9H,5-7H2,1H3,(H2,13,17)
InChIKeyBWGCONNKUVSBKL-UHFFFAOYSA-N
XLogP-0.08
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
4-(bromomethyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168504283
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 168697414
(3R)-1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97032922
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83290643
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
(3S)-1-[(2-methoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 39337419
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 168697461
(4S)-1-[(2-methoxyphenyl)methyl]-4-(3-pyridin-4-ylazetidine-1-carbonyl)pyrrolidin-2-one
CID 95719078
1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 168697470

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 168696642) is 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ncccc1CN1CC(C(N)=O)CC1=O.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BWGCONNKUVSBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-18-12-8(3-2-4-14-12)6-15-7-9(11(13)17)5-10(15)16/h2-4,9H,5-7H2,1H3,(H2,13,17).
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide?
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 249.27 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168696642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).