2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile

C15H15N3O2 — CID 7749474

IUPAC2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(NCCO)n2)cc1
InChIInChI=1S/C15H15N3O2/c1-20-13-5-2-11(3-6-13)14-7-4-12(10-16)15(18-14)17-8-9-19/h2-7,19H,8-9H2,1H3,(H,17,18)
InChIKeyRXUCOVITXATPPG-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.03
Rot. Bonds5

About 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile

2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 7749474) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID7749474
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile
SMILESCOc1ccc(-c2ccc(C#N)c(NCCO)n2)cc1
InChIInChI=1S/C15H15N3O2/c1-20-13-5-2-11(3-6-13)14-7-4-12(10-16)15(18-14)17-8-9-19/h2-7,19H,8-9H2,1H3,(H,17,18)
InChIKeyRXUCOVITXATPPG-UHFFFAOYSA-N
XLogP2.03
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749478
2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylamino]-6-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 7749480
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
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-hydrazinyl-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 62252110
2-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-propylacetamide
CID 71296353
6-(4-tert-butylphenyl)-2-hydrazinylpyridine-3-carbonitrile
CID 62252464
2-(4-hydroxybutylamino)-6-methylpyridine-3-carbonitrile
CID 106842221

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile (CID 7749474) is 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile is COc1ccc(-c2ccc(C#N)c(NCCO)n2)cc1.
What is the InChIKey of 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is RXUCOVITXATPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-20-13-5-2-11(3-6-13)14-7-4-12(10-16)15(18-14)17-8-9-19/h2-7,19H,8-9H2,1H3,(H,17,18).
What are the key properties of 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile?
2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 269.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-6-(4-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 7749474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).