2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile

C27H31N3O3 — CID 155727734

IUPAC2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile
SMILESCOc1ccc(CN(Cc2ccc(C)cc2)c2cc(C(C)(C)C#N)c(OCCO)cn2)cc1
InChIInChI=1S/C27H31N3O3/c1-20-5-7-21(8-6-20)17-30(18-22-9-11-23(32-4)12-10-22)26-15-24(27(2,3)19-28)25(16-29-26)33-14-13-31/h5-12,15-16,31H,13-14,17-18H2,1-4H3
InChIKeyKGXJZDNNNDZJLT-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.78
Rot. Bonds10

About 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile

2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile (PubChem CID 155727734) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile
PubChem CID155727734
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile
SMILESCOc1ccc(CN(Cc2ccc(C)cc2)c2cc(C(C)(C)C#N)c(OCCO)cn2)cc1
InChIInChI=1S/C27H31N3O3/c1-20-5-7-21(8-6-20)17-30(18-22-9-11-23(32-4)12-10-22)26-15-24(27(2,3)19-28)25(16-29-26)33-14-13-31/h5-12,15-16,31H,13-14,17-18H2,1-4H3
InChIKeyKGXJZDNNNDZJLT-UHFFFAOYSA-N
XLogP4.78
TPSA78.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24761822
CID 24761822
CID 23723877
CID 23723877
CID 23723878
CID 23723878
CID 24761821
CID 24761821
CID 2882133
CID 2882133
CID 2940158
CID 2940158
CID 52941355
CID 52941355
CID 56749495
CID 56749495
CID 56751800
CID 56751800
CID 56760279
CID 56760279
CID 356739
CID 356739
CID 2882132
CID 2882132

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile?
The IUPAC name of 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile (CID 155727734) is 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile?
The canonical SMILES for 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile is COc1ccc(CN(Cc2ccc(C)cc2)c2cc(C(C)(C)C#N)c(OCCO)cn2)cc1.
What is the InChIKey of 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile?
The InChIKey is KGXJZDNNNDZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-20-5-7-21(8-6-20)17-30(18-22-9-11-23(32-4)12-10-22)26-15-24(27(2,3)19-28)25(16-29-26)33-14-13-31/h5-12,15-16,31H,13-14,17-18H2,1-4H3.
What are the key properties of 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile?
2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile has a molecular weight of 445.56 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-hydroxyethoxy)-2-[(4-methoxyphenyl)methyl-[(4-methylphenyl)methyl]amino]-4-pyridinyl]-2-methylpropanenitrile is sourced from PubChem (CID 155727734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).