2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile

C22H22N4 — CID 11824071

IUPAC2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
SMILESCC1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)c2C#N)CC1
InChIInChI=1S/C22H22N4/c1-15-8-10-26(11-9-15)21-13-20(25-22(24)19(21)14-23)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12-13,15H,8-11H2,1H3,(H2,24,25)
InChIKeyMUESWYUGJWDVLP-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.59
Rot. Bonds2

About 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile

2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile (PubChem CID 11824071) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
PubChem CID11824071
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
SMILESCC1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)c2C#N)CC1
InChIInChI=1S/C22H22N4/c1-15-8-10-26(11-9-15)21-13-20(25-22(24)19(21)14-23)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12-13,15H,8-11H2,1H3,(H2,24,25)
InChIKeyMUESWYUGJWDVLP-UHFFFAOYSA-N
XLogP4.59
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile (CID 11824071) is 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile is CC1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)c2C#N)CC1.
What is the InChIKey of 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile?
The InChIKey is MUESWYUGJWDVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-8-10-26(11-9-15)21-13-20(25-22(24)19(21)14-23)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12-13,15H,8-11H2,1H3,(H2,24,25).
What are the key properties of 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile?
2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile has a molecular weight of 342.45 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 11824071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).