6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile

C16H15ClN4 — CID 136574445

IUPAC6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C16H15ClN4/c17-14-2-3-15(19-11-14)13-5-7-21(8-6-13)16-4-1-12(9-18)10-20-16/h1-4,10-11,13H,5-8H2
InChIKeyYVHUZIAHBJGMMD-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.39
Rot. Bonds2

About 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile

6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile (PubChem CID 136574445) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
PubChem CID136574445
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1ccc(N2CCC(c3ccc(Cl)cn3)CC2)nc1
InChIInChI=1S/C16H15ClN4/c17-14-2-3-15(19-11-14)13-5-7-21(8-6-13)16-4-1-12(9-18)10-20-16/h1-4,10-11,13H,5-8H2
InChIKeyYVHUZIAHBJGMMD-UHFFFAOYSA-N
XLogP3.39
TPSA52.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115022328
6-[4-(6-cyclopropylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 139023243
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 72852375
6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 167767188
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
fluoromethane;6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 169148538
6-(4-piperidin-4-yloxypiperidin-1-yl)pyridine-3-carbonitrile
CID 69354590
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
6-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 163343768

Frequently Asked Questions

What is the IUPAC name of 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile (CID 136574445) is 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile is N#Cc1ccc(N2CCC(c3ccc(Cl)cn3)CC2)nc1.
What is the InChIKey of 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is YVHUZIAHBJGMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c17-14-2-3-15(19-11-14)13-5-7-21(8-6-13)16-4-1-12(9-18)10-20-16/h1-4,10-11,13H,5-8H2.
What are the key properties of 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile?
6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 298.78 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(5-chloro-2-pyridinyl)piperidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 136574445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).