2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile

C14H14N4O — CID 70047401

IUPAC2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCOCCNc1ncc(-c2ccncc2)cc1C#N
InChIInChI=1S/C14H14N4O/c1-19-7-6-17-14-12(9-15)8-13(10-18-14)11-2-4-16-5-3-11/h2-5,8,10H,6-7H2,1H3,(H,17,18)
InChIKeyUPZWEYYVFPNSHY-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.07
Rot. Bonds5

About 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile

2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile (PubChem CID 70047401) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
PubChem CID70047401
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile
SMILESCOCCNc1ncc(-c2ccncc2)cc1C#N
InChIInChI=1S/C14H14N4O/c1-19-7-6-17-14-12(9-15)8-13(10-18-14)11-2-4-16-5-3-11/h2-5,8,10H,6-7H2,1H3,(H,17,18)
InChIKeyUPZWEYYVFPNSHY-UHFFFAOYSA-N
XLogP2.07
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(5-amino-2-methylphenyl)-2-(2-methoxyethylamino)pyridine-3-carbonitrile;5-bromo-2-(2-methoxyethylamino)pyridine-3-carbonitrile
CID 159674175
2-propoxy-5-pyridin-4-ylpyridine-3-carbonitrile
CID 70050897
3-[2-(2-methoxyethylamino)ethylamino]pyridine-4-carbonitrile
CID 83030587
2-(2-methoxyethylamino)-5-(4-methylphenyl)benzonitrile
CID 125454931
2-(3-methoxypropylamino)pyridine-3-carbonitrile
CID 17221189
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
2-(2-methoxyethylamino)-5-[2-[[6-[(1-methylpiperidin-4-yl)methyl]-3-pyridinyl]amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 158926781
2-ethylsulfonyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 14709103
2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine
CID 20550365
3-[2-(2-methoxyethoxy)ethylamino]pyridazine-4-carbonitrile
CID 80510325
2-[(3-cyano-5-phenyl-2-pyridinyl)amino]acetic acid
CID 21004433
2-phenyl-5-pyridin-4-ylpyridine-3-carbonitrile
CID 102437645

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile?
The IUPAC name of 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile (CID 70047401) is 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile is COCCNc1ncc(-c2ccncc2)cc1C#N.
What is the InChIKey of 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile?
The InChIKey is UPZWEYYVFPNSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-7-6-17-14-12(9-15)8-13(10-18-14)11-2-4-16-5-3-11/h2-5,8,10H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile?
2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-5-pyridin-4-ylpyridine-3-carbonitrile is sourced from PubChem (CID 70047401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).