N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide

C19H13ClN2O4 — CID 67108892

IUPACN-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
SMILESCC(=O)N(C(=O)c1cccc(Cl)c1)c1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C19H13ClN2O4/c1-12(23)22(18(24)13-4-2-6-15(20)10-13)16-7-8-17(26-19(16)25)14-5-3-9-21-11-14/h2-11H,1H3
InChIKeyDZBGPQZMECIHCK-UHFFFAOYSA-N
MW368.78 g/mol
LogP3.55
Rot. Bonds3

About N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide

N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide (PubChem CID 67108892) has the molecular formula C19H13ClN2O4 and a molecular weight of 368.78 g/mol. Its IUPAC name is N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide.

Molecular Properties

Compound NameN-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
PubChem CID67108892
Molecular FormulaC19H13ClN2O4
Molecular Weight368.78 g/mol
Exact Mass368.06
IUPAC NameN-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide
SMILESCC(=O)N(C(=O)c1cccc(Cl)c1)c1ccc(-c2cccnc2)oc1=O
InChIInChI=1S/C19H13ClN2O4/c1-12(23)22(18(24)13-4-2-6-15(20)10-13)16-7-8-17(26-19(16)25)14-5-3-9-21-11-14/h2-11H,1H3
InChIKeyDZBGPQZMECIHCK-UHFFFAOYSA-N
XLogP3.55
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.78
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide?
The IUPAC name of N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide (CID 67108892) is N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide.
What is the SMILES notation for N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide?
The canonical SMILES for N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide is CC(=O)N(C(=O)c1cccc(Cl)c1)c1ccc(-c2cccnc2)oc1=O.
What is the InChIKey of N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide?
The InChIKey is DZBGPQZMECIHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O4/c1-12(23)22(18(24)13-4-2-6-15(20)10-13)16-7-8-17(26-19(16)25)14-5-3-9-21-11-14/h2-11H,1H3.
What are the key properties of N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide?
N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide has a molecular weight of 368.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-chloro-N-(2-oxo-6-pyridin-3-ylpyran-3-yl)benzamide is sourced from PubChem (CID 67108892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).