5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile

C14H14N4O — CID 11172830

IUPAC5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCCOc1cc(C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyINJXYYMXQAALDH-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.80
Rot. Bonds4

About 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile

5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile (PubChem CID 11172830) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
PubChem CID11172830
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile
SMILESCCOc1cc(C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18)
InChIKeyINJXYYMXQAALDH-UHFFFAOYSA-N
XLogP2.80
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-3-benzyloxypyridine
CID 90334
Rbi 257
CID 5041
N-[[3-Fluoro-4-ethoxy-pyrid-2-YL]ethyl]-N'-[5-nitrilomethyl-pyridyl]-thiourea
CID 3000505
U 101958
CID 5615
(3-Ethoxy-pyridin-2-yl)-pyridin-2-yl-amine
CID 11321863
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
Aak1-IN-4
CID 118429891
N-(2-ethoxyphenyl)-4-(2-(2-ethoxyphenylamino)pyridin-4-yl)pyridin-2-amine
CID 10477561
(3-Ethoxy-pyridin-2-yl)-(6-methoxy-pyridin-2-yl)-amine
CID 11149253
5'-ethoxy-N-(6-methylpyridin-2-yl)-2,3'-bipyridin-6'-amine
CID 11220495
(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile (CID 11172830) is 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile is CCOc1cc(C#N)cnc1Nc1cccc(C)n1.
What is the InChIKey of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
The InChIKey is INJXYYMXQAALDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-19-12-7-11(8-15)9-16-14(12)18-13-6-4-5-10(2)17-13/h4-7,9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile?
5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 11172830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).