6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile

C17H16N4O2 — CID 133392008

IUPAC6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
SMILESCOc1cc(Nc2cccc(C#N)n2)ccc1N1CCCC1=O
InChIInChI=1S/C17H16N4O2/c1-23-15-10-12(19-16-5-2-4-13(11-18)20-16)7-8-14(15)21-9-3-6-17(21)22/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,20)
InChIKeyXDSAPLSDQMSGFN-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.83
Rot. Bonds4

About 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile

6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile (PubChem CID 133392008) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
PubChem CID133392008
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
SMILESCOc1cc(Nc2cccc(C#N)n2)ccc1N1CCCC1=O
InChIInChI=1S/C17H16N4O2/c1-23-15-10-12(19-16-5-2-4-13(11-18)20-16)7-8-14(15)21-9-3-6-17(21)22/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,20)
InChIKeyXDSAPLSDQMSGFN-UHFFFAOYSA-N
XLogP2.83
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
CID 64992271
4-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 25380840
1-[2-methoxy-4-(tetrazolo[1,5-b]pyridazin-6-ylamino)phenyl]pyrrolidin-2-one
CID 154759176
N'-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-N-(4-methoxyphenyl)oxamide
CID 30679370
4-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]-2,6-dimethylpyridine-3-carbonitrile
CID 133396754
6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile
CID 133392194
4-methoxy-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686632
6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 133392432
2,6-difluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686672
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042
6-[3-(2-oxopyrrolidin-1-yl)anilino]pyridazine-3-carbonitrile
CID 133418227
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7635888

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile?
The IUPAC name of 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile (CID 133392008) is 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile is COc1cc(Nc2cccc(C#N)n2)ccc1N1CCCC1=O.
What is the InChIKey of 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile?
The InChIKey is XDSAPLSDQMSGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-15-10-12(19-16-5-2-4-13(11-18)20-16)7-8-14(15)21-9-3-6-17(21)22/h2,4-5,7-8,10H,3,6,9H2,1H3,(H,19,20).
What are the key properties of 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile?
6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile has a molecular weight of 308.34 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile is sourced from PubChem (CID 133392008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).