6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile

C20H19N5 — CID 133286840

IUPAC6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3ccc4ccccc4n3)CC2)nc1
InChIInChI=1S/C20H19N5/c21-13-15-5-8-20(22-14-15)25-11-9-17(10-12-25)23-19-7-6-16-3-1-2-4-18(16)24-19/h1-8,14,17H,9-12H2,(H,23,24)
InChIKeyXNVATOFZGGVLBK-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.58
Rot. Bonds3

About 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 133286840) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID133286840
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(Nc3ccc4ccccc4n3)CC2)nc1
InChIInChI=1S/C20H19N5/c21-13-15-5-8-20(22-14-15)25-11-9-17(10-12-25)23-19-7-6-16-3-1-2-4-18(16)24-19/h1-8,14,17H,9-12H2,(H,23,24)
InChIKeyXNVATOFZGGVLBK-UHFFFAOYSA-N
XLogP3.58
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286801
6-[4-[(3,6-dimethylpyrazin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133469882
6-[4-[(2-pyridin-4-ylquinazolin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286769
6-[4-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286721
6-[4-[(2-methylphenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110757
6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166189625
6-[4-[(2-chlorophenyl)methylamino]piperidin-1-yl]pyridine-3-carbonitrile
CID 119110752
6-[4-[(4-methoxypyrimidin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286804
6-anilino-4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 155537151
6-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133401190
6-[4-[(6-ethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133294350
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590

Frequently Asked Questions

What is the IUPAC name of 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile (CID 133286840) is 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(Nc3ccc4ccccc4n3)CC2)nc1.
What is the InChIKey of 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is XNVATOFZGGVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c21-13-15-5-8-20(22-14-15)25-11-9-17(10-12-25)23-19-7-6-16-3-1-2-4-18(16)24-19/h1-8,14,17H,9-12H2,(H,23,24).
What are the key properties of 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 329.41 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(quinolin-2-ylamino)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 133286840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).