2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C17H20N4O — CID 7749478

IUPAC2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(NCCN(C)C)n2)cc1
InChIInChI=1S/C17H20N4O/c1-21(2)11-10-19-17-14(12-18)6-9-16(20-17)13-4-7-15(22-3)8-5-13/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyKCOBRYZSAHBMHT-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.60
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 7749478) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID7749478
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(NCCN(C)C)n2)cc1
InChIInChI=1S/C17H20N4O/c1-21(2)11-10-19-17-14(12-18)6-9-16(20-17)13-4-7-15(22-3)8-5-13/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyKCOBRYZSAHBMHT-UHFFFAOYSA-N
XLogP2.60
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749474
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749480
2-[2-(dimethylamino)ethylamino]-6-thiophen-2-ylpyridine-3-carbonitrile
CID 94281991
6-(4-bromophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62198237
6-(4-chlorophenyl)-2-(ethylamino)pyridine-3-carbonitrile
CID 62197446
2-(ethylamino)-6-(4-ethylphenyl)pyridine-3-carbonitrile
CID 55045466
2-(ethylamino)-5-(4-methoxyphenyl)-6-methylpyridine-3-carbonitrile
CID 63271011
2-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 62252110
N-[3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]phenyl]acetamide
CID 7719451
5-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]amino]-2-hydroxybenzoic acid
CID 21004485
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344
6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252464

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 7749478) is 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(NCCN(C)C)n2)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is KCOBRYZSAHBMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-21(2)11-10-19-17-14(12-18)6-9-16(20-17)13-4-7-15(22-3)8-5-13/h4-9H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 296.37 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 7749478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).