2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile

C21H26N4O3 — CID 53369726

IUPAC2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)cc(C)c2C#N)cc1OC
InChIInChI=1S/C21H26N4O3/c1-15-12-20(25-8-10-28-11-9-25)24-21(17(15)14-22)23-7-6-16-4-5-18(26-2)19(13-16)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,23,24)
InChIKeyMFMJLSBPLPAWCQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.77
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile

2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile (PubChem CID 53369726) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
PubChem CID53369726
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile
SMILESCOc1ccc(CCNc2nc(N3CCOCC3)cc(C)c2C#N)cc1OC
InChIInChI=1S/C21H26N4O3/c1-15-12-20(25-8-10-28-11-9-25)24-21(17(15)14-22)23-7-6-16-4-5-18(26-2)19(13-16)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,23,24)
InChIKeyMFMJLSBPLPAWCQ-UHFFFAOYSA-N
XLogP2.77
TPSA79.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535408
6-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 22541759
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66505704
(Z)-2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-morpholin-4-ylprop-2-enamide
CID 108836217
1-(3,4-dimethoxyphenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]methanamine
CID 38048685
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-methylpyridin-2-amine
CID 62253339
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)sulfanyl]acetamide
CID 2983601
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856385
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(4-ethylpiperazin-1-yl)pyrimidin-4-amine
CID 112858059
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442347
(Z)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 108843603
6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 163767095

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile (CID 53369726) is 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile is COc1ccc(CCNc2nc(N3CCOCC3)cc(C)c2C#N)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile?
The InChIKey is MFMJLSBPLPAWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-15-12-20(25-8-10-28-11-9-25)24-21(17(15)14-22)23-7-6-16-4-5-18(26-2)19(13-16)27-3/h4-5,12-13H,6-11H2,1-3H3,(H,23,24).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile?
2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile has a molecular weight of 382.46 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethylamino]-4-methyl-6-morpholin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 53369726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).