(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide

C14H14N4O2 — CID 110488978

IUPAC(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
SMILESCCOc1ncc(/C=C/C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C14H14N4O2/c1-2-20-14-16-8-11(9-17-14)5-6-13(19)18-12-4-3-7-15-10-12/h3-10H,2H2,1H3,(H,18,19)/b6-5+
InChIKeyJFYXJFMRWVRJSC-AATRIKPKSA-N
MW270.29 g/mol
LogP1.92
Rot. Bonds5

About (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide

(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 110488978) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
PubChem CID110488978
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
SMILESCCOc1ncc(/C=C/C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C14H14N4O2/c1-2-20-14-16-8-11(9-17-14)5-6-13(19)18-12-4-3-7-15-10-12/h3-10H,2H2,1H3,(H,18,19)/b6-5+
InChIKeyJFYXJFMRWVRJSC-AATRIKPKSA-N
XLogP1.92
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-2-ylprop-2-enamide
CID 110488977
methyl 4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzoate
CID 26592488
N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978968
(E)-N-[4-(4-ethoxyphenyl)sulfonylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 70978966
(2E,4Z)-4-ethyl-N-pyridin-3-ylhexa-2,4-dienamide
CID 99633361
(E)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
(E)-3-(2-ethoxypyrimidin-5-yl)-N-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 110488934
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
3-(2-ethoxypyrimidin-5-yl)prop-2-enoic acid
CID 169460467
(E)-3-(2-ethoxypyrimidin-5-yl)-N-(2-methylpropyl)prop-2-enamide
CID 110488969

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide (CID 110488978) is (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide is CCOc1ncc(/C=C/C(=O)Nc2cccnc2)cn1.
What is the InChIKey of (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is JFYXJFMRWVRJSC-AATRIKPKSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-2-20-14-16-8-11(9-17-14)5-6-13(19)18-12-4-3-7-15-10-12/h3-10H,2H2,1H3,(H,18,19)/b6-5+.
What are the key properties of (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide?
(E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide has a molecular weight of 270.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethoxypyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 110488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).