7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

C26H33N5 — CID 657586

IUPAC7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H33N5/c27-18-23-22-12-17-29(19-21-10-4-1-5-11-21)20-24(22)26(31-15-8-3-9-16-31)28-25(23)30-13-6-2-7-14-30/h1,4-5,10-11H,2-3,6-9,12-17,19-20H2
InChIKeyNFWFNKQJHIUIBD-UHFFFAOYSA-N
MW415.59 g/mol
LogP4.49
Rot. Bonds4

About 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile

7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (PubChem CID 657586) has the molecular formula C26H33N5 and a molecular weight of 415.59 g/mol. Its IUPAC name is 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.

Molecular Properties

Compound Name7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
PubChem CID657586
Molecular FormulaC26H33N5
Molecular Weight415.59 g/mol
Exact Mass415.27
IUPAC Name7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile
SMILESN#Cc1c(N2CCCCC2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C26H33N5/c27-18-23-22-12-17-29(19-21-10-4-1-5-11-21)20-24(22)26(31-15-8-3-9-16-31)28-25(23)30-13-6-2-7-14-30/h1,4-5,10-11H,2-3,6-9,12-17,19-20H2
InChIKeyNFWFNKQJHIUIBD-UHFFFAOYSA-N
XLogP4.49
TPSA46.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.59
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The IUPAC name of 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile (CID 657586) is 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile.
What is the SMILES notation for 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The canonical SMILES for 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is N#Cc1c(N2CCCCC2)nc(N2CCCCC2)c2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
The InChIKey is NFWFNKQJHIUIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5/c27-18-23-22-12-17-29(19-21-10-4-1-5-11-21)20-24(22)26(31-15-8-3-9-16-31)28-25(23)30-13-6-2-7-14-30/h1,4-5,10-11H,2-3,6-9,12-17,19-20H2.
What are the key properties of 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile?
7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile has a molecular weight of 415.59 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1,3-di(piperidin-1-yl)-6,8-dihydro-5H-2,7-naphthyridine-4-carbonitrile is sourced from PubChem (CID 657586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).