1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile

C17H17N3 — CID 90115436

IUPAC1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile
SMILESN#CC1(c2cccnc2)CCCN1Cc1ccccc1
InChIInChI=1S/C17H17N3/c18-14-17(16-8-4-10-19-12-16)9-5-11-20(17)13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,11,13H2
InChIKeyWXUMQAGMJOZUOL-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.10
Rot. Bonds3

About 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile

1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile (PubChem CID 90115436) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile
PubChem CID90115436
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile
SMILESN#CC1(c2cccnc2)CCCN1Cc1ccccc1
InChIInChI=1S/C17H17N3/c18-14-17(16-8-4-10-19-12-16)9-5-11-20(17)13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,11,13H2
InChIKeyWXUMQAGMJOZUOL-UHFFFAOYSA-N
XLogP3.10
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
3-(1-ethyl-2-methylpyrrolidin-2-yl)pyridine
CID 176918775
1-benzyl-3-(pyridin-3-ylmethyl)piperidin-3-ol
CID 104735832
1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56819704
(5S)-1-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-1,9-diazaspiro[4.5]decane
CID 97481962
2-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperazine
CID 64845242
1-benzyl-2-(hydroxymethyl)pyrrolidin-2-ol
CID 19704375
1-benzyl-2-phenylpiperidin-2-amine;dihydrochloride
CID 174330652
1-benzyl-4-phenylpiperidine-4-carbonitrile;methane
CID 161359636
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile?
The IUPAC name of 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile (CID 90115436) is 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile?
The canonical SMILES for 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile is N#CC1(c2cccnc2)CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile?
The InChIKey is WXUMQAGMJOZUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c18-14-17(16-8-4-10-19-12-16)9-5-11-20(17)13-15-6-2-1-3-7-15/h1-4,6-8,10,12H,5,9,11,13H2.
What are the key properties of 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile?
1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile has a molecular weight of 263.34 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-pyridin-3-ylpyrrolidine-2-carbonitrile is sourced from PubChem (CID 90115436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).