3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile

C23H19N7 — CID 155977261

IUPAC3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1
InChIInChI=1S/C23H19N7/c24-14-21-23(27-10-9-26-21)30-11-5-17(6-12-30)20-2-1-18-13-19(15-28-22(18)29-20)16-3-7-25-8-4-16/h1-4,7-10,13,15,17H,5-6,11-12H2
InChIKeyDQCCAGGTSDYKTJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.74
Rot. Bonds3

About 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile

3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 155977261) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID155977261
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1
InChIInChI=1S/C23H19N7/c24-14-21-23(27-10-9-26-21)30-11-5-17(6-12-30)20-2-1-18-13-19(15-28-22(18)29-20)16-3-7-25-8-4-16/h1-4,7-10,13,15,17H,5-6,11-12H2
InChIKeyDQCCAGGTSDYKTJ-UHFFFAOYSA-N
XLogP3.74
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 155977261) is 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1N1CCC(c2ccc3cc(-c4ccncc4)cnc3n2)CC1.
What is the InChIKey of 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is DQCCAGGTSDYKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c24-14-21-23(27-10-9-26-21)30-11-5-17(6-12-30)20-2-1-18-13-19(15-28-22(18)29-20)16-3-7-25-8-4-16/h1-4,7-10,13,15,17H,5-6,11-12H2.
What are the key properties of 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile?
3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 393.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-pyridin-4-yl-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 155977261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).