1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

C13H11N3 — CID 117003320

IUPAC1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C13H11N3/c14-9-11-4-6-16(7-5-11)13-3-1-2-12(8-13)10-15/h1-4,8H,5-7H2
InChIKeyINEDPHBMHLRMGA-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.22
Rot. Bonds1

About 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile

1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (PubChem CID 117003320) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
PubChem CID117003320
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile
SMILESN#CC1=CCN(c2cccc(C#N)c2)CC1
InChIInChI=1S/C13H11N3/c14-9-11-4-6-16(7-5-11)13-3-1-2-12(8-13)10-15/h1-4,8H,5-7H2
InChIKeyINEDPHBMHLRMGA-UHFFFAOYSA-N
XLogP2.22
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(4-chlorophenyl)piperazin-1-yl]benzonitrile
CID 102815269
3-(3-oxopyrrolidin-1-yl)benzonitrile
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1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,6-dihydro-2H-pyridine-4-carbonitrile
CID 117003312
3-(3,3-dimethyl-4-oxopiperidin-1-yl)benzonitrile
CID 117024335
3-(4-ethylpiperazin-1-yl)benzonitrile
CID 83779762
3-(4-propylpiperazin-1-yl)benzonitrile
CID 22397822
3-[4-(trifluoromethyl)piperidin-1-yl]benzonitrile
CID 102816688
3-(3-methylazetidin-1-yl)benzonitrile
CID 79686637
4-amino-1-(3-cyanophenyl)piperidine-4-carbonitrile
CID 117013111
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
3-(3,3-dimethylpyrrolidin-1-yl)benzonitrile
CID 102816849
3-[4-(3-cyanophenyl)piperazin-1-yl]propanoic acid
CID 117028290

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The IUPAC name of 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile (CID 117003320) is 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile.
What is the SMILES notation for 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The canonical SMILES for 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is N#CC1=CCN(c2cccc(C#N)c2)CC1.
What is the InChIKey of 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
The InChIKey is INEDPHBMHLRMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-9-11-4-6-16(7-5-11)13-3-1-2-12(8-13)10-15/h1-4,8H,5-7H2.
What are the key properties of 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile?
1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanophenyl)-3,6-dihydro-2H-pyridine-4-carbonitrile is sourced from PubChem (CID 117003320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).