6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C14H14N6O — CID 133304730

IUPAC6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESCn1cc(N2CCC(Nc3cccc(C#N)n3)C2=O)cn1
InChIInChI=1S/C14H14N6O/c1-19-9-11(8-16-19)20-6-5-12(14(20)21)18-13-4-2-3-10(7-15)17-13/h2-4,8-9,12H,5-6H2,1H3,(H,17,18)
InChIKeyVLBREWRBECCOPC-UHFFFAOYSA-N
MW282.31 g/mol
LogP0.90
Rot. Bonds3

About 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile

6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 133304730) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID133304730
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESCn1cc(N2CCC(Nc3cccc(C#N)n3)C2=O)cn1
InChIInChI=1S/C14H14N6O/c1-19-9-11(8-16-19)20-6-5-12(14(20)21)18-13-4-2-3-10(7-15)17-13/h2-4,8-9,12H,5-6H2,1H3,(H,17,18)
InChIKeyVLBREWRBECCOPC-UHFFFAOYSA-N
XLogP0.90
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[(6-methyl-2-pyridinyl)amino]pyrrolidin-2-one
CID 133483353
6-[(1-methyl-2-oxopyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103680905
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carboxylic acid
CID 122053869
1-(1-methylpyrazol-4-yl)-3-(pyridin-2-ylamino)pyrrolidin-2-one
CID 133306421
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-5-(trifluoromethyl)benzonitrile
CID 71915118
3-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133389739
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
1-(1-methylpyrazol-4-yl)-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pyrrolidin-2-one
CID 133483354
2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]-3H-quinazolin-4-one
CID 137271144
N-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]quinoline-4-carboxamide
CID 133306320
3-[(6-fluoro-2-pyridinyl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353967
3-[(8-methoxy-2-methylquinolin-4-yl)amino]-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 133394043

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 133304730) is 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is Cn1cc(N2CCC(Nc3cccc(C#N)n3)C2=O)cn1.
What is the InChIKey of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is VLBREWRBECCOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-19-9-11(8-16-19)20-6-5-12(14(20)21)18-13-4-2-3-10(7-15)17-13/h2-4,8-9,12H,5-6H2,1H3,(H,17,18).
What are the key properties of 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 133304730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).