N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C13H11ClN2O3 — CID 3543650

IUPACN-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-7-6-10(17)19-8(2)11(7)13(18)16-9-4-3-5-15-12(9)14/h3-6H,1-2H3,(H,16,18)
InChIKeyNIDVKUJKFJBJJD-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.56
Rot. Bonds2

About N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3543650) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3543650
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC NameN-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1cccnc1Cl
InChIInChI=1S/C13H11ClN2O3/c1-7-6-10(17)19-8(2)11(7)13(18)16-9-4-3-5-15-12(9)14/h3-6H,1-2H3,(H,16,18)
InChIKeyNIDVKUJKFJBJJD-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3543650) is N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is NIDVKUJKFJBJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-6-10(17)19-8(2)11(7)13(18)16-9-4-3-5-15-12(9)14/h3-6H,1-2H3,(H,16,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide has a molecular weight of 278.69 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3543650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).