N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide

C16H20N2O3 — CID 156741275

IUPACN-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CCCOC2)c1
InChIInChI=1S/C16H20N2O3/c1-3-15(19)18-14-9-13(16(20-2)17-10-14)7-6-12-5-4-8-21-11-12/h3,6-7,9-10,12H,1,4-5,8,11H2,2H3,(H,18,19)/b7-6+/t12-/m0/s1
InChIKeyVDSFSDKAQDHCBS-SYTKJHMZSA-N
MW288.35 g/mol
LogP2.65
Rot. Bonds5

About N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide

N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide (PubChem CID 156741275) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
PubChem CID156741275
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide
SMILESC=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CCCOC2)c1
InChIInChI=1S/C16H20N2O3/c1-3-15(19)18-14-9-13(16(20-2)17-10-14)7-6-12-5-4-8-21-11-12/h3,6-7,9-10,12H,1,4-5,8,11H2,2H3,(H,18,19)/b7-6+/t12-/m0/s1
InChIKeyVDSFSDKAQDHCBS-SYTKJHMZSA-N
XLogP2.65
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide (CID 156741275) is N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide is C=CC(=O)Nc1cnc(OC)c(/C=C/[C@@H]2CCCOC2)c1.
What is the InChIKey of N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide?
The InChIKey is VDSFSDKAQDHCBS-SYTKJHMZSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-15(19)18-14-9-13(16(20-2)17-10-14)7-6-12-5-4-8-21-11-12/h3,6-7,9-10,12H,1,4-5,8,11H2,2H3,(H,18,19)/b7-6+/t12-/m0/s1.
What are the key properties of N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide?
N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-5-[(E)-2-[(3S)-oxan-3-yl]ethenyl]-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 156741275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).