(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide

C18H14N2O — CID 164626291

IUPAC(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H14N2O/c19-18(21)8-7-14-9-10-20-12-17(14)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H2,19,21)/b8-7+
InChIKeyOTDAVQICJQMEMA-BQYQJAHWSA-N
MW274.32 g/mol
LogP3.40
Rot. Bonds3

About (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide

(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (PubChem CID 164626291) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
PubChem CID164626291
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESNC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C18H14N2O/c19-18(21)8-7-14-9-10-20-12-17(14)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H2,19,21)/b8-7+
InChIKeyOTDAVQICJQMEMA-BQYQJAHWSA-N
XLogP3.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (CID 164626291) is (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is NC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The InChIKey is OTDAVQICJQMEMA-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H14N2O/c19-18(21)8-7-14-9-10-20-12-17(14)16-6-5-13-3-1-2-4-15(13)11-16/h1-12H,(H2,19,21)/b8-7+.
What are the key properties of (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
(E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 164626291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).