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

C15H18F2N2O3 — CID 89271971

IUPAC2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
SMILESC=C(NC(=O)c1c(CCCC2CC2)cc(=O)oc1N)C(F)F
InChIInChI=1S/C15H18F2N2O3/c1-8(13(16)17)19-15(21)12-10(4-2-3-9-5-6-9)7-11(20)22-14(12)18/h7,9,13H,1-6,18H2,(H,19,21)
InChIKeyPTZPZRQMJWEIFF-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.46
Rot. Bonds7

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

2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide (PubChem CID 89271971) has the molecular formula C15H18F2N2O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
PubChem CID89271971
Molecular FormulaC15H18F2N2O3
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
SMILESC=C(NC(=O)c1c(CCCC2CC2)cc(=O)oc1N)C(F)F
InChIInChI=1S/C15H18F2N2O3/c1-8(13(16)17)19-15(21)12-10(4-2-3-9-5-6-9)7-11(20)22-14(12)18/h7,9,13H,1-6,18H2,(H,19,21)
InChIKeyPTZPZRQMJWEIFF-UHFFFAOYSA-N
XLogP2.46
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
The IUPAC name of 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide (CID 89271971) is 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide.
What is the SMILES notation for 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
The canonical SMILES for 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide is C=C(NC(=O)c1c(CCCC2CC2)cc(=O)oc1N)C(F)F.
What is the InChIKey of 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
The InChIKey is PTZPZRQMJWEIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3/c1-8(13(16)17)19-15(21)12-10(4-2-3-9-5-6-9)7-11(20)22-14(12)18/h7,9,13H,1-6,18H2,(H,19,21).
What are the key properties of 2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide?
2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide has a molecular weight of 312.32 g/mol, XLogP of 2.46, 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-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide is sourced from PubChem (CID 89271971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).