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

C21H19ClN6 — CID 67508875

IUPAC6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl
InChIInChI=1S/C21H19ClN6/c1-15-3-2-6-24-21(15)17-11-20(26-14-18(17)22)28-9-7-27(8-10-28)19-5-4-16(12-23)13-25-19/h2-6,11,13-14H,7-10H2,1H3
InChIKeyIQCJZVAUALNPSF-UHFFFAOYSA-N
MW390.88 g/mol
LogP3.70
Rot. Bonds3

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

6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 67508875) has the molecular formula C21H19ClN6 and a molecular weight of 390.88 g/mol. Its IUPAC name is 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID67508875
Molecular FormulaC21H19ClN6
Molecular Weight390.88 g/mol
Exact Mass390.14
IUPAC Name6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl
InChIInChI=1S/C21H19ClN6/c1-15-3-2-6-24-21(15)17-11-20(26-14-18(17)22)28-9-7-27(8-10-28)19-5-4-16(12-23)13-25-19/h2-6,11,13-14H,7-10H2,1H3
InChIKeyIQCJZVAUALNPSF-UHFFFAOYSA-N
XLogP3.70
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 67508875) is 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1cccnc1-c1cc(N2CCN(c3ccc(C#N)cn3)CC2)ncc1Cl.
What is the InChIKey of 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is IQCJZVAUALNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN6/c1-15-3-2-6-24-21(15)17-11-20(26-14-18(17)22)28-9-7-27(8-10-28)19-5-4-16(12-23)13-25-19/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 390.88 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 67508875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).