(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide

C19H17N3O3 — CID 122262415

IUPAC(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
SMILESCOc1ccc(-c2cc(CNC(=O)/C=C/c3ccco3)ncn2)cc1
InChIInChI=1S/C19H17N3O3/c1-24-16-6-4-14(5-7-16)18-11-15(21-13-22-18)12-20-19(23)9-8-17-3-2-10-25-17/h2-11,13H,12H2,1H3,(H,20,23)/b9-8+
InChIKeyYZGSMEPKMXABIM-CMDGGOBGSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds6

About (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide (PubChem CID 122262415) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
PubChem CID122262415
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide
SMILESCOc1ccc(-c2cc(CNC(=O)/C=C/c3ccco3)ncn2)cc1
InChIInChI=1S/C19H17N3O3/c1-24-16-6-4-14(5-7-16)18-11-15(21-13-22-18)12-20-19(23)9-8-17-3-2-10-25-17/h2-11,13H,12H2,1H3,(H,20,23)/b9-8+
InChIKeyYZGSMEPKMXABIM-CMDGGOBGSA-N
XLogP3.07
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
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

3-(furan-2-yl)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 71960841
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
3-(furan-2-yl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 963759
3-(furan-2-yl)-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamothioyl]prop-2-enamide
CID 2921138
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(4-methoxyphenyl)-N-[(6-phenylpyrimidin-4-yl)methyl]acetamide
CID 122261746
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
1-(2-methoxyphenyl)-3-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]urea
CID 122262605
N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]-2-(4-methoxyphenoxy)acetamide
CID 122262823
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122262463
(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 60534017

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide (CID 122262415) is (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide is COc1ccc(-c2cc(CNC(=O)/C=C/c3ccco3)ncn2)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide?
The InChIKey is YZGSMEPKMXABIM-CMDGGOBGSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-24-16-6-4-14(5-7-16)18-11-15(21-13-22-18)12-20-19(23)9-8-17-3-2-10-25-17/h2-11,13H,12H2,1H3,(H,20,23)/b9-8+.
What are the key properties of (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide has a molecular weight of 335.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 122262415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).