6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

C27H30N4O4 — CID 45028178

IUPAC6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(N(C)C)cc3)nc(N3CCOCC3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H30N4O4/c1-30(2)20-8-6-18(7-9-20)23-16-21(19-14-24(32-3)26(34-5)25(15-19)33-4)22(17-28)27(29-23)31-10-12-35-13-11-31/h6-9,14-16H,10-13H2,1-5H3
InChIKeyFYXQRFVJGWWYJQ-UHFFFAOYSA-N
MW474.56 g/mol
LogP4.22
Rot. Bonds7

About 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (PubChem CID 45028178) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
PubChem CID45028178
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1cc(-c2cc(-c3ccc(N(C)C)cc3)nc(N3CCOCC3)c2C#N)cc(OC)c1OC
InChIInChI=1S/C27H30N4O4/c1-30(2)20-8-6-18(7-9-20)23-16-21(19-14-24(32-3)26(34-5)25(15-19)33-4)22(17-28)27(29-23)31-10-12-35-13-11-31/h6-9,14-16H,10-13H2,1-5H3
InChIKeyFYXQRFVJGWWYJQ-UHFFFAOYSA-N
XLogP4.22
TPSA80.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-amino-6-(4-phenylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 4636477
4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
CID 102236385
4,6-bis[4-(dimethylamino)phenyl]-2-methylpyridine-3-carbonitrile
CID 15133245
2-amino-6-(3,4-dimethylphenyl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 3502077
2-amino-4-(4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 70111563
4,6-diphenyl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 11099418
2-ethoxy-6-(4-fluorophenyl)-4-(4-morpholin-4-ylphenyl)pyridine-3-carbonitrile
CID 102246453
4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
4-[5-(3-bromophenyl)-2-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]-N,N-dimethylaniline
CID 54500947
4-[4-(2-methoxyphenyl)-6-phenylpyrimidin-2-yl]morpholine
CID 909883
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
CID 101177675
2-amino-4-[4-(dimethylamino)phenyl]-6-(4-phenylphenyl)pyridine-3-carbonitrile
CID 4659292

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile (CID 45028178) is 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is COc1cc(-c2cc(-c3ccc(N(C)C)cc3)nc(N3CCOCC3)c2C#N)cc(OC)c1OC.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is FYXQRFVJGWWYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-30(2)20-8-6-18(7-9-20)23-16-21(19-14-24(32-3)26(34-5)25(15-19)33-4)22(17-28)27(29-23)31-10-12-35-13-11-31/h6-9,14-16H,10-13H2,1-5H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile?
6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 474.56 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 45028178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).