2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile

C15H15N3O — CID 114765933

IUPAC2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C15H15N3O/c1-11-8-13(10-16)9-15(18-11)17-7-6-12-2-4-14(19)5-3-12/h2-5,8-9,19H,6-7H2,1H3,(H,17,18)
InChIKeyYKUCIUVZNCISLL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.62
Rot. Bonds4

About 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile

2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile (PubChem CID 114765933) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
PubChem CID114765933
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)cc(NCCc2ccc(O)cc2)n1
InChIInChI=1S/C15H15N3O/c1-11-8-13(10-16)9-15(18-11)17-7-6-12-2-4-14(19)5-3-12/h2-5,8-9,19H,6-7H2,1H3,(H,17,18)
InChIKeyYKUCIUVZNCISLL-UHFFFAOYSA-N
XLogP2.62
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
2-[[4-(2-aminoethyl)phenyl]methylamino]-6-methylpyridine-4-carbonitrile
CID 114769974
2-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridine-4-carbonitrile
CID 103007006
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
2-methyl-6-[(4-methylphenyl)methylamino]pyridine-4-carbonitrile
CID 114765767
3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanamide
CID 114765879
2-[(4-cyano-6-methyl-2-pyridinyl)amino]ethylurea
CID 114766555
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
3-[(4-cyano-6-methyl-2-pyridinyl)amino]-N-methylpropanamide
CID 114766134
methyl 3-[(4-cyano-6-methyl-2-pyridinyl)amino]propanoate
CID 114765934
4-[(4-cyano-6-methyl-2-pyridinyl)amino]butanamide
CID 114765908

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The IUPAC name of 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile (CID 114765933) is 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile is Cc1cc(C#N)cc(NCCc2ccc(O)cc2)n1.
What is the InChIKey of 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
The InChIKey is YKUCIUVZNCISLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-8-13(10-16)9-15(18-11)17-7-6-12-2-4-14(19)5-3-12/h2-5,8-9,19H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile?
2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-hydroxyphenyl)ethylamino]-6-methylpyridine-4-carbonitrile is sourced from PubChem (CID 114765933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).