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

C16H20FNO3 — CID 143674442

IUPAC4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide
SMILESC=C(CF)NC(=O)c1c(CCCC2CC2)cc(=O)oc1C
InChIInChI=1S/C16H20FNO3/c1-10(9-17)18-16(20)15-11(2)21-14(19)8-13(15)5-3-4-12-6-7-12/h8,12H,1,3-7,9H2,2H3,(H,18,20)
InChIKeyXCFDQKZVEKCWRD-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.89
Rot. Bonds7

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

4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide (PubChem CID 143674442) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide
PubChem CID143674442
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide
SMILESC=C(CF)NC(=O)c1c(CCCC2CC2)cc(=O)oc1C
InChIInChI=1S/C16H20FNO3/c1-10(9-17)18-16(20)15-11(2)21-14(19)8-13(15)5-3-4-12-6-7-12/h8,12H,1,3-7,9H2,2H3,(H,18,20)
InChIKeyXCFDQKZVEKCWRD-UHFFFAOYSA-N
XLogP2.89
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethylidene)hexyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187601
4-[2-(3,3-difluorocyclobutyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187661
2-amino-4-(3-cyclopropylpropyl)-N-(3,3-difluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
CID 89271971
2-amino-4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-6-oxopyran-3-carboxamide
CID 89271973
4-(2-cyclopentylethyl)-3-methyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187280
7-methylidene-4-(4-methylpentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187292
4-(cycloheptylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187304
4-(cyclohexylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187315
4-[3-(2-ethylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187331
4-(cyclopropylmethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187340
4-(3-methylbutyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187349
4-(3-cyclopropylpropyl)-3-isocyano-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187364

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide?
The IUPAC name of 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide (CID 143674442) is 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide?
The canonical SMILES for 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide is C=C(CF)NC(=O)c1c(CCCC2CC2)cc(=O)oc1C.
What is the InChIKey of 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide?
The InChIKey is XCFDQKZVEKCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10(9-17)18-16(20)15-11(2)21-14(19)8-13(15)5-3-4-12-6-7-12/h8,12H,1,3-7,9H2,2H3,(H,18,20).
What are the key properties of 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide?
4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide has a molecular weight of 293.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylpropyl)-N-(3-fluoroprop-1-en-2-yl)-2-methyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 143674442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).