4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile

C15H17N5 — CID 64900506

IUPAC4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
SMILESCN(c1c(C#N)nnc2ccccc12)C1CCCNC1
InChIInChI=1S/C15H17N5/c1-20(11-5-4-8-17-10-11)15-12-6-2-3-7-13(12)18-19-14(15)9-16/h2-3,6-7,11,17H,4-5,8,10H2,1H3
InChIKeyRBTPCIYGKIBYMW-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.69
Rot. Bonds2

About 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile

4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile (PubChem CID 64900506) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile.

Molecular Properties

Compound Name4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
PubChem CID64900506
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile
SMILESCN(c1c(C#N)nnc2ccccc12)C1CCCNC1
InChIInChI=1S/C15H17N5/c1-20(11-5-4-8-17-10-11)15-12-6-2-3-7-13(12)18-19-14(15)9-16/h2-3,6-7,11,17H,4-5,8,10H2,1H3
InChIKeyRBTPCIYGKIBYMW-UHFFFAOYSA-N
XLogP1.69
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[ethyl(piperidin-3-yl)amino]quinoline-3-carbonitrile
CID 63636825
4-[ethyl(pyrrolidin-2-ylmethyl)amino]cinnoline-3-carbonitrile
CID 106619154
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
N-methyl-4-phenyl-N-piperidin-3-ylquinazolin-2-amine
CID 166324131
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 63883694
3-methoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71643025
N-methyl-N-[(3R)-piperidin-3-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 71640920
4-(pyrrolidin-3-ylmethylamino)cinnoline-3-carbonitrile
CID 80563975
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020
N-methyl-6-phenyl-N-piperidin-3-ylpyridazin-3-amine
CID 116973502
3-ethoxy-N-methyl-N-[(3S)-piperidin-3-yl]quinoxalin-2-amine
CID 71639633

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
The IUPAC name of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile (CID 64900506) is 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile.
What is the SMILES notation for 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
The canonical SMILES for 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile is CN(c1c(C#N)nnc2ccccc12)C1CCCNC1.
What is the InChIKey of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
The InChIKey is RBTPCIYGKIBYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-20(11-5-4-8-17-10-11)15-12-6-2-3-7-13(12)18-19-14(15)9-16/h2-3,6-7,11,17H,4-5,8,10H2,1H3.
What are the key properties of 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile?
4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile has a molecular weight of 267.34 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(piperidin-3-yl)amino]cinnoline-3-carbonitrile is sourced from PubChem (CID 64900506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).