N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide

C18H15ClN2O4 — CID 67109498

IUPACN-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C(=O)C1CC1)c1c(Cl)cc(-c2cccnc2)oc1=O
InChIInChI=1S/C18H15ClN2O4/c19-13-8-14(12-2-1-7-20-9-12)25-18(24)15(13)21(16(22)10-3-4-10)17(23)11-5-6-11/h1-2,7-11H,3-6H2
InChIKeyBYKWJYJMCCRIEV-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.03
Rot. Bonds4

About N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide

N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide (PubChem CID 67109498) has the molecular formula C18H15ClN2O4 and a molecular weight of 358.78 g/mol. Its IUPAC name is N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide
PubChem CID67109498
Molecular FormulaC18H15ClN2O4
Molecular Weight358.78 g/mol
Exact Mass358.07
IUPAC NameN-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide
SMILESO=C(C1CC1)N(C(=O)C1CC1)c1c(Cl)cc(-c2cccnc2)oc1=O
InChIInChI=1S/C18H15ClN2O4/c19-13-8-14(12-2-1-7-20-9-12)25-18(24)15(13)21(16(22)10-3-4-10)17(23)11-5-6-11/h1-2,7-11H,3-6H2
InChIKeyBYKWJYJMCCRIEV-UHFFFAOYSA-N
XLogP3.03
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide (CID 67109498) is N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide is O=C(C1CC1)N(C(=O)C1CC1)c1c(Cl)cc(-c2cccnc2)oc1=O.
What is the InChIKey of N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide?
The InChIKey is BYKWJYJMCCRIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4/c19-13-8-14(12-2-1-7-20-9-12)25-18(24)15(13)21(16(22)10-3-4-10)17(23)11-5-6-11/h1-2,7-11H,3-6H2.
What are the key properties of N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide?
N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide has a molecular weight of 358.78 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-oxo-6-pyridin-3-ylpyran-3-yl)-N-(cyclopropanecarbonyl)cyclopropanecarboxamide is sourced from PubChem (CID 67109498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).