6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile

C15H18N4O — CID 156831035

IUPAC6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile
SMILESC=CC1=C(NC)C(NCc2ccc(C#N)cn2)CCO1
InChIInChI=1S/C15H18N4O/c1-3-14-15(17-2)13(6-7-20-14)19-10-12-5-4-11(8-16)9-18-12/h3-5,9,13,17,19H,1,6-7,10H2,2H3
InChIKeyOLYAWCZELDXOED-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.45
Rot. Bonds5

About 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile

6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile (PubChem CID 156831035) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile
PubChem CID156831035
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile
SMILESC=CC1=C(NC)C(NCc2ccc(C#N)cn2)CCO1
InChIInChI=1S/C15H18N4O/c1-3-14-15(17-2)13(6-7-20-14)19-10-12-5-4-11(8-16)9-18-12/h3-5,9,13,17,19H,1,6-7,10H2,2H3
InChIKeyOLYAWCZELDXOED-UHFFFAOYSA-N
XLogP1.45
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile (CID 156831035) is 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile is C=CC1=C(NC)C(NCc2ccc(C#N)cn2)CCO1.
What is the InChIKey of 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile?
The InChIKey is OLYAWCZELDXOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-3-14-15(17-2)13(6-7-20-14)19-10-12-5-4-11(8-16)9-18-12/h3-5,9,13,17,19H,1,6-7,10H2,2H3.
What are the key properties of 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile?
6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[6-ethenyl-5-(methylamino)-3,4-dihydro-2H-pyran-4-yl]amino]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 156831035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).