2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile

C21H18N2O4 — CID 101497530

IUPAC2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile
SMILESCOc1ccc(Oc2cc(CC#N)nc(Oc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H18N2O4/c1-24-16-3-7-18(8-4-16)26-20-13-15(11-12-22)23-21(14-20)27-19-9-5-17(25-2)6-10-19/h3-10,13-14H,11H2,1-2H3
InChIKeyUTAWJEKZWZROME-UHFFFAOYSA-N
MW362.39 g/mol
LogP4.75
Rot. Bonds7

About 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile

2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile (PubChem CID 101497530) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile
PubChem CID101497530
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile
SMILESCOc1ccc(Oc2cc(CC#N)nc(Oc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H18N2O4/c1-24-16-3-7-18(8-4-16)26-20-13-15(11-12-22)23-21(14-20)27-19-9-5-17(25-2)6-10-19/h3-10,13-14H,11H2,1-2H3
InChIKeyUTAWJEKZWZROME-UHFFFAOYSA-N
XLogP4.75
TPSA73.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(dimethylamino)-7-methoxyquinolin-2-yl]acetonitrile
CID 82243793
2-[4-(cyanomethyl)phenoxy]-6-methylpyridine-4-carbonitrile
CID 114766790
2-(5,7-dimethoxyquinolin-2-yl)acetonitrile
CID 84625416
2-[4-fluoro-3-(4-methoxyphenoxy)phenyl]acetonitrile
CID 54073521
2-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]acetonitrile
CID 171338528
2-[4-(6-amino-2-propan-2-ylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80965676
2-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]acetonitrile
CID 61229739
2-[4-(6-amino-2-propylpyrimidin-4-yl)oxyphenyl]acetonitrile
CID 80950425
2-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864396
1-(4,6-dimethoxy-2-pyridinyl)-N-methylmethanamine
CID 84658512
3-[4-amino-3-(cyanomethyl)phenoxy]-5-methoxybenzonitrile
CID 103566390
2-[3-(cyanomethyl)-5-methoxyphenyl]acetonitrile
CID 19746279

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile (CID 101497530) is 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile is COc1ccc(Oc2cc(CC#N)nc(Oc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile?
The InChIKey is UTAWJEKZWZROME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-24-16-3-7-18(8-4-16)26-20-13-15(11-12-22)23-21(14-20)27-19-9-5-17(25-2)6-10-19/h3-10,13-14H,11H2,1-2H3.
What are the key properties of 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile?
2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile has a molecular weight of 362.39 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-bis(4-methoxyphenoxy)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 101497530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).