ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate

C14H17N3O2 — CID 62895670

IUPACethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cccnc1C#N
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)13-6-4-8-17(13)10-11-5-3-7-16-12(11)9-15/h3,5,7,13H,2,4,6,8,10H2,1H3
InChIKeyYULGXULQPKQJRZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.48
Rot. Bonds4

About ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate

ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate (PubChem CID 62895670) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
PubChem CID62895670
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Nameethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1Cc1cccnc1C#N
InChIInChI=1S/C14H17N3O2/c1-2-19-14(18)13-6-4-8-17(13)10-11-5-3-7-16-12(11)9-15/h3,5,7,13H,2,4,6,8,10H2,1H3
InChIKeyYULGXULQPKQJRZ-UHFFFAOYSA-N
XLogP1.48
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 62893590
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
ethyl 1-(quinolin-4-ylmethyl)pyrrolidine-2-carboxylate
CID 79232010
ethyl 1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylate
CID 112550209
methyl 1-[(2-amino-3-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 55075318
ethyl (2S)-1-[(2-fluorophenyl)methyl]piperidine-2-carboxylate
CID 764903
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62920268
methyl (3S)-1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylate
CID 115537508
ethyl 1-[(3-cyano-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylate
CID 65344470
methyl 1-[[2-(methylamino)-3-pyridinyl]methyl]pyrrolidine-2-carboxylate
CID 62470832
3-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62893634
ethyl 1-[(1-cyclopentylpyrazol-3-yl)methyl]pyrrolidine-2-carboxylate
CID 64778071

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate (CID 62895670) is ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1Cc1cccnc1C#N.
What is the InChIKey of ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
The InChIKey is YULGXULQPKQJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-19-14(18)13-6-4-8-17(13)10-11-5-3-7-16-12(11)9-15/h3,5,7,13H,2,4,6,8,10H2,1H3.
What are the key properties of ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate?
ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-cyano-3-pyridinyl)methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 62895670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).