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

C19H16N2O — CID 162352561

IUPAC(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O/c1-20-19(22)9-8-15-10-11-21-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3,(H,20,22)/b9-8+
InChIKeyYDCAIQGKZSEZJE-CMDGGOBGSA-N
MW288.35 g/mol
LogP3.66
Rot. Bonds3

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

(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (PubChem CID 162352561) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
PubChem CID162352561
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide
SMILESCNC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O/c1-20-19(22)9-8-15-10-11-21-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3,(H,20,22)/b9-8+
InChIKeyYDCAIQGKZSEZJE-CMDGGOBGSA-N
XLogP3.66
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.66
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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Related Compounds

3-(Naphthalen-2-yl)pyridine
CID 11845485
6-(4-Methylpyridin-3-yl)-2-naphthonitrile
CID 25034343
N-(3,3-diphenylpropyl)pyridine-4-carboxamide
CID 5193384
1-methyl-4-[(E)-2-naphthalen-1-ylethenyl]pyridin-1-ium
CID 5758582
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CID 146909371
6-(2-aminoethyl)-9-(1H-pyrrol-2-yl)benzo[h]isoquinolin-1(2H)-one
CID 44443522
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
CID 56597953
N-(pyridin-4-yl)naphthalene-1-carboxamide
CID 854749
3-(4-tert-butylphenyl)-N-4-pyridinylacrylamide
CID 898426
N'-(1-pyridin-3-ylethylidene)-2-naphthohydrazide
CID 9616107
4-(2-(1-Naphthalenyl)ethenyl)pyridine
CID 5475238

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide (CID 162352561) is (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is CNC(=O)/C=C/c1ccncc1-c1ccc2ccccc2c1.
What is the InChIKey of (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
The InChIKey is YDCAIQGKZSEZJE-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H16N2O/c1-20-19(22)9-8-15-10-11-21-13-18(15)17-7-6-14-4-2-3-5-16(14)12-17/h2-13H,1H3,(H,20,22)/b9-8+.
What are the key properties of (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide?
(E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-3-(3-naphthalen-2-yl-4-pyridinyl)prop-2-enamide is sourced from PubChem (CID 162352561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).