1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid

C12H13N3O2 — CID 79370136

IUPAC1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1ncccc1C#N
InChIInChI=1S/C12H13N3O2/c1-8-10(12(16)17)4-6-15(8)11-9(7-13)3-2-5-14-11/h2-3,5,8,10H,4,6H2,1H3,(H,16,17)
InChIKeyZFBWQKLGKFNSHZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.25
Rot. Bonds2

About 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid

1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79370136) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79370136
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1c1ncccc1C#N
InChIInChI=1S/C12H13N3O2/c1-8-10(12(16)17)4-6-15(8)11-9(7-13)3-2-5-14-11/h2-3,5,8,10H,4,6H2,1H3,(H,16,17)
InChIKeyZFBWQKLGKFNSHZ-UHFFFAOYSA-N
XLogP1.25
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyano-2-pyridinyl)pyrrolidine-2-carboxamide
CID 43183688
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
2-[(2R)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 94546211
2-[2-(4-methylpiperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 56789597
2-(2,4-dimethylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 115644105
2-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62663072
2-(2-phenylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 51313680
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-phenylpropanamide
CID 90349842
2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)pyridine-3-carbonitrile
CID 166257527
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 66879804

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79370136) is 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1c1ncccc1C#N.
What is the InChIKey of 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZFBWQKLGKFNSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-10(12(16)17)4-6-15(8)11-9(7-13)3-2-5-14-11/h2-3,5,8,10H,4,6H2,1H3,(H,16,17).
What are the key properties of 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).