4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile

C24H24N4O — CID 127028662

IUPAC4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C24H24N4O/c1-17-2-5-21(14-27-17)24-23(20-6-3-18(13-25)4-7-20)12-22(15-28-24)29-16-19-8-10-26-11-9-19/h2-7,12,14-15,19,26H,8-11,16H2,1H3
InChIKeyNWPVLZSTWNTPGI-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.37
Rot. Bonds5

About 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile

4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile (PubChem CID 127028662) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
PubChem CID127028662
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile
SMILESCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cn1
InChIInChI=1S/C24H24N4O/c1-17-2-5-21(14-27-17)24-23(20-6-3-18(13-25)4-7-20)12-22(15-28-24)29-16-19-8-10-26-11-9-19/h2-7,12,14-15,19,26H,8-11,16H2,1H3
InChIKeyNWPVLZSTWNTPGI-UHFFFAOYSA-N
XLogP4.37
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Pilavapadin
CID 118419773
Aqw-051
CID 50914822
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-(quinolin-3-yl)propoxy]pyridin-3-yl}isoquinoline
CID 23647000
6-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}isoquinoline
CID 23647001
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
(R)-4-(5-(Pyrrolidin-3-ylmethoxy)-2-(p-tolyl)pyridin-3-yl)benzonitrile
CID 72793898
7-(5-Phenoxy-3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene
CID 57485799
US10155760, Example 15
CID 118420229

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile (CID 127028662) is 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile is Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cn1.
What is the InChIKey of 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
The InChIKey is NWPVLZSTWNTPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-17-2-5-21(14-27-17)24-23(20-6-3-18(13-25)4-7-20)12-22(15-28-24)29-16-19-8-10-26-11-9-19/h2-7,12,14-15,19,26H,8-11,16H2,1H3.
What are the key properties of 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile?
4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile has a molecular weight of 384.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-methyl-3-pyridinyl)-5-(piperidin-4-ylmethoxy)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 127028662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).