2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide

C15H19FN2O3 — CID 89271973

IUPAC2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
SMILESC=C(CF)NC(=O)c1c(CCCC2CC2)cc(=O)oc1N
InChIInChI=1S/C15H19FN2O3/c1-9(8-16)18-15(20)13-11(4-2-3-10-5-6-10)7-12(19)21-14(13)17/h7,10H,1-6,8,17H2,(H,18,20)
InChIKeyHXCFFQPYNNQUHB-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.17
Rot. Bonds7

About 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide

2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide (PubChem CID 89271973) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
PubChem CID89271973
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
SMILESC=C(CF)NC(=O)c1c(CCCC2CC2)cc(=O)oc1N
InChIInChI=1S/C15H19FN2O3/c1-9(8-16)18-15(20)13-11(4-2-3-10-5-6-10)7-12(19)21-14(13)17/h7,10H,1-6,8,17H2,(H,18,20)
InChIKeyHXCFFQPYNNQUHB-UHFFFAOYSA-N
XLogP2.17
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
The IUPAC name of 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide (CID 89271973) is 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide is C=C(CF)NC(=O)c1c(CCCC2CC2)cc(=O)oc1N.
What is the InChIKey of 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
The InChIKey is HXCFFQPYNNQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-9(8-16)18-15(20)13-11(4-2-3-10-5-6-10)7-12(19)21-14(13)17/h7,10H,1-6,8,17H2,(H,18,20).
What are the key properties of 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 89271973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).