4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile

C15H17N5 — CID 114695438

IUPAC4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
SMILESCC1NCCCC1Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C15H17N5/c1-10-12(7-4-8-17-10)18-15-11-5-2-3-6-13(11)19-20-14(15)9-16/h2-3,5-6,10,12,17H,4,7-8H2,1H3,(H,18,19)
InChIKeyJFTKYGPMOSNSJP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.05
Rot. Bonds2

About 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile

4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile (PubChem CID 114695438) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
PubChem CID114695438
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile
SMILESCC1NCCCC1Nc1c(C#N)nnc2ccccc12
InChIInChI=1S/C15H17N5/c1-10-12(7-4-8-17-10)18-15-11-5-2-3-6-13(11)19-20-14(15)9-16/h2-3,5-6,10,12,17H,4,7-8H2,1H3,(H,18,19)
InChIKeyJFTKYGPMOSNSJP-UHFFFAOYSA-N
XLogP2.05
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-methylcyclopentyl)amino]cinnoline-3-carbonitrile
CID 114547691
4-(1-azabicyclo[2.2.2]octan-3-ylamino)cinnoline-3-carbonitrile
CID 64899836
4-[(2-propylcyclopropyl)amino]cinnoline-3-carbonitrile
CID 103710848
4-[(2,6-dimethylpiperidin-1-yl)amino]cinnoline-3-carbonitrile
CID 83018198
2-[(2-methylpiperidin-3-yl)amino]quinoline-3-carbonitrile
CID 114695703
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)cinnoline-3-carbonitrile
CID 75792227
4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
CID 80563975
4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile
CID 106619154
6-methyl-2-[(2-methylpiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 114695618
4-[(3R)-3-methylpiperazin-1-yl]cinnoline-3-carbonitrile
CID 104976097
4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
CID 64900506
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]cinnoline-3-carbonitrile
CID 79359952

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile (CID 114695438) is 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile is CC1NCCCC1Nc1c(C#N)nnc2ccccc12.
What is the InChIKey of 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile?
The InChIKey is JFTKYGPMOSNSJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-12(7-4-8-17-10)18-15-11-5-2-3-6-13(11)19-20-14(15)9-16/h2-3,5-6,10,12,17H,4,7-8H2,1H3,(H,18,19).
What are the key properties of 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile?
4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpiperidin-3-yl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 114695438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).