2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile

C17H17N3O — CID 69486425

IUPAC2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2ncccc2C#N)cc1N1CCOCC1
InChIInChI=1S/C17H17N3O/c1-13-4-5-14(17-15(12-18)3-2-6-19-17)11-16(13)20-7-9-21-10-8-20/h2-6,11H,7-10H2,1H3
InChIKeyRTPXBFHUELSVEV-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.77
Rot. Bonds2

About 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile

2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile (PubChem CID 69486425) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile
PubChem CID69486425
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile
SMILESCc1ccc(-c2ncccc2C#N)cc1N1CCOCC1
InChIInChI=1S/C17H17N3O/c1-13-4-5-14(17-15(12-18)3-2-6-19-17)11-16(13)20-7-9-21-10-8-20/h2-6,11H,7-10H2,1H3
InChIKeyRTPXBFHUELSVEV-UHFFFAOYSA-N
XLogP2.77
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile (CID 69486425) is 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile is Cc1ccc(-c2ncccc2C#N)cc1N1CCOCC1.
What is the InChIKey of 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
The InChIKey is RTPXBFHUELSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-4-5-14(17-15(12-18)3-2-6-19-17)11-16(13)20-7-9-21-10-8-20/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile?
2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile has a molecular weight of 279.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-morpholin-4-ylphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 69486425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).