5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile

C12H18N4O — CID 55010953

IUPAC5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
SMILESCCN(c1ncc(N)cc1C#N)C(C)COC
InChIInChI=1S/C12H18N4O/c1-4-16(9(2)8-17-3)12-10(6-13)5-11(14)7-15-12/h5,7,9H,4,8,14H2,1-3H3
InChIKeyIENIKTMSVREMET-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.40
Rot. Bonds5

About 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile

5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile (PubChem CID 55010953) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
PubChem CID55010953
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
SMILESCCN(c1ncc(N)cc1C#N)C(C)COC
InChIInChI=1S/C12H18N4O/c1-4-16(9(2)8-17-3)12-10(6-13)5-11(14)7-15-12/h5,7,9H,4,8,14H2,1-3H3
InChIKeyIENIKTMSVREMET-UHFFFAOYSA-N
XLogP1.40
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile (CID 55010953) is 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile is CCN(c1ncc(N)cc1C#N)C(C)COC.
What is the InChIKey of 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile?
The InChIKey is IENIKTMSVREMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-16(9(2)8-17-3)12-10(6-13)5-11(14)7-15-12/h5,7,9H,4,8,14H2,1-3H3.
What are the key properties of 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile?
5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile has a molecular weight of 234.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[ethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 55010953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).