6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile

C11H14N4 — CID 2747101

IUPAC6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
InChIKeyAWTOGESBXYCVMV-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.75
Rot. Bonds1

About 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile

6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile (PubChem CID 2747101) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
PubChem CID2747101
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCCNCC2)nc1
InChIInChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
InChIKeyAWTOGESBXYCVMV-UHFFFAOYSA-N
XLogP0.75
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
1-(2-Pyridyl)piperazine
CID 94459
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
6-((2-((2-((2S)-2-Cyano-1-pyrrolidinyl)-2-oxoethyl)amino)ethyl)amino)-3-pyridinecarbonitrile
CID 9796290
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
1-[3-(Trifluoromethyl)pyridin-2-yl]piperazine
CID 2777786
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
1-(Pyridin-2-YL)-1,4-diazepane
CID 2772402
3-(4,5-dihydro-1H-imidazol-2-yl)pyridine
CID 238079
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
Piperazine, 1-(2-pyridinyl)-, dihydrochloride
CID 3040476

Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile (CID 2747101) is 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile is N#Cc1ccc(N2CCCNCC2)nc1.
What is the InChIKey of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
The InChIKey is AWTOGESBXYCVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2.
What are the key properties of 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile?
6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile has a molecular weight of 202.26 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 2747101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).