4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile

C19H21N3O2 — CID 102236385

IUPAC4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C)c(C)nc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C19H21N3O2/c1-13-14(2)21-19(22-8-10-24-11-9-22)17(12-20)18(13)15-4-6-16(23-3)7-5-15/h4-7H,8-11H2,1-3H3
InChIKeyQIBWMUMMCZGNGP-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.08
Rot. Bonds3

About 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile

4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 102236385) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID102236385
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C)c(C)nc(N3CCOCC3)c2C#N)cc1
InChIInChI=1S/C19H21N3O2/c1-13-14(2)21-19(22-8-10-24-11-9-22)17(12-20)18(13)15-4-6-16(23-3)7-5-15/h4-7H,8-11H2,1-3H3
InChIKeyQIBWMUMMCZGNGP-UHFFFAOYSA-N
XLogP3.08
TPSA58.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-methoxyphenyl)-6-morpholin-4-yl-2-phenylpyrimidine-5-carbonitrile
CID 3299494
4-[4-(4-methoxyphenyl)phthalazin-1-yl]morpholine
CID 6401297
2-amino-4-[(Z)-1-cyano-2-(4-methoxyphenyl)ethenyl]-6-morpholin-4-ylpyridine-3,5-dicarbonitrile
CID 6235520
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
6-[4-(dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile
CID 45028178
3-amino-6-morpholin-4-yl-4-phenyl-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 45270204
4-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile
CID 3698261
4-(4-fluorophenyl)-2-methylsulfanyl-6-morpholin-4-ylpyrimidine-5-carbonitrile
CID 155809027
4,13-dimorpholin-4-yl-5,14-diazapentacyclo[9.7.1.12,6.015,19.010,20]icosa-1(19),2,4,6,8,10(20),11,13,15,17-decaene-3,12-dicarbonitrile
CID 21082935
5-amino-2,4-dimethyl-7-morpholin-4-yl-1,6-naphthyridine-8-carbonitrile
CID 102145611
5-amino-2,4-bis(4-methoxyphenyl)-7-pyrrolidin-1-yl-1,6-naphthyridine-8-carbonitrile
CID 101177675
2-[5-(4-methoxyphenyl)-4-methyl-6-morpholin-4-yl-2-pyridinyl]-1-piperidin-1-ylethanone
CID 10070098

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile (CID 102236385) is 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile is COc1ccc(-c2c(C)c(C)nc(N3CCOCC3)c2C#N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is QIBWMUMMCZGNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-14(2)21-19(22-8-10-24-11-9-22)17(12-20)18(13)15-4-6-16(23-3)7-5-15/h4-7H,8-11H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile?
4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5,6-dimethyl-2-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 102236385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).