6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile

C12H16N4 — CID 115308086

IUPAC6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(CN)(Nc1ccc(C#N)cn1)C1CC1
InChIInChI=1S/C12H16N4/c1-12(8-14,10-3-4-10)16-11-5-2-9(6-13)7-15-11/h2,5,7,10H,3-4,8,14H2,1H3,(H,15,16)
InChIKeyCIOHMXPRFMPPTG-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.49
Rot. Bonds4

About 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile

6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 115308086) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID115308086
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile
SMILESCC(CN)(Nc1ccc(C#N)cn1)C1CC1
InChIInChI=1S/C12H16N4/c1-12(8-14,10-3-4-10)16-11-5-2-9(6-13)7-15-11/h2,5,7,10H,3-4,8,14H2,1H3,(H,15,16)
InChIKeyCIOHMXPRFMPPTG-UHFFFAOYSA-N
XLogP1.49
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyano-N'-(1,1-dimethylpropyl)-N''-3-pyridinylguanidine
CID 43345
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
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
N1,N1-Dimethyl-N2-2-pyridinyl-1,2-ethanediamine
CID 90273
6-((Cyclopropylmethyl)(propyl)amino)-4-(trifluoromethyl)nicotinonitrile
CID 11185187
6-(1,4-Diazepan-1-yl)nicotinonitrile
CID 2747101
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
N-Cyano-N''-(3-methylbutyl)-N'-pyridin-3-ylguanidine
CID 3042800
N-(propan-2-yl)pyridin-2-amine
CID 2366450
2-Amino-5-cyanopyridine
CID 818260
2-[1-[(4-Methyl-2-pyridinyl)amino]ethylidene]propanedinitrile
CID 3598085

Frequently Asked Questions

What is the IUPAC name of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile (CID 115308086) is 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile is CC(CN)(Nc1ccc(C#N)cn1)C1CC1.
What is the InChIKey of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is CIOHMXPRFMPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-12(8-14,10-3-4-10)16-11-5-2-9(6-13)7-15-11/h2,5,7,10H,3-4,8,14H2,1H3,(H,15,16).
What are the key properties of 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile?
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 216.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 115308086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).