(2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

C15H19N3O2 — CID 156550822

IUPAC(2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)Nc1ccn(C(C)C)c(=O)n1
InChIInChI=1S/C15H19N3O2/c1-5-7-12(8-6-2)14(19)16-13-9-10-18(11(3)4)15(20)17-13/h5-11H,1H2,2-4H3,(H,16,17,19,20)/b8-6-,12-7+
InChIKeyTYOOVYLAUSQSIP-LQNKLOEDSA-N
MW273.34 g/mol
LogP2.45
Rot. Bonds5

About (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide

(2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (PubChem CID 156550822) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
PubChem CID156550822
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide
SMILESC=C/C=C(\C=C/C)C(=O)Nc1ccn(C(C)C)c(=O)n1
InChIInChI=1S/C15H19N3O2/c1-5-7-12(8-6-2)14(19)16-13-9-10-18(11(3)4)15(20)17-13/h5-11H,1H2,2-4H3,(H,16,17,19,20)/b8-6-,12-7+
InChIKeyTYOOVYLAUSQSIP-LQNKLOEDSA-N
XLogP2.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The IUPAC name of (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide (CID 156550822) is (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide.
What is the SMILES notation for (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The canonical SMILES for (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is C=C/C=C(\C=C/C)C(=O)Nc1ccn(C(C)C)c(=O)n1.
What is the InChIKey of (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
The InChIKey is TYOOVYLAUSQSIP-LQNKLOEDSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-5-7-12(8-6-2)14(19)16-13-9-10-18(11(3)4)15(20)17-13/h5-11H,1H2,2-4H3,(H,16,17,19,20)/b8-6-,12-7+.
What are the key properties of (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide?
(2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide has a molecular weight of 273.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienamide is sourced from PubChem (CID 156550822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).