N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

C13H11ClN2O3 — CID 3370368

IUPACN-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN2O3/c1-7-5-11(17)19-8(2)12(7)13(18)16-10-4-3-9(14)6-15-10/h3-6H,1-2H3,(H,15,16,18)
InChIKeySIIFKEJGFOFABY-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.56
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide

N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (PubChem CID 3370368) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
PubChem CID3370368
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC NameN-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
SMILESCc1cc(=O)oc(C)c1C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C13H11ClN2O3/c1-7-5-11(17)19-8(2)12(7)13(18)16-10-4-3-9(14)6-15-10/h3-6H,1-2H3,(H,15,16,18)
InChIKeySIIFKEJGFOFABY-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

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Related Compounds

2-Acetamido-5-chloropyridine
CID 798653
N-(5-chloropyridin-2-yl)-2-methylpentanamide
CID 2889757
N-(2-chloropyridin-3-yl)-4,6-dimethyl-2-oxo-2H-pyran-5-carboxamide
CID 3543650
N-(5-chloropyridin-2-yl)cyclopropanecarboxamide
CID 686089
(E)-N-(5-chloropyridin-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 2190627
[2-[(5-Chloro-2-pyridinyl)amino]-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2448175
N-(5-Chloro-2-pyridinyl)-3-oxobutanamide
CID 811631
Diethyl 2-(((5-chloropyridin-2-yl)amino)methylene)malonate
CID 2012668
N-(5-chloropyridin-2-yl)hexanamide
CID 3241720
[2-[(3,5-Dichloro-4-methyl-2-pyridinyl)amino]-2-oxoethyl] 3-methylbut-2-enoate
CID 4413203
(Z)-N-(5-chloro-2-pyridinyl)-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
CID 54719372
(Z)-3-(((5-chloropyridin-2-yl)amino)methylene)-6-methyl-2H-pyran-2,4(3H)-dione
CID 135488657

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide (CID 3370368) is N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is Cc1cc(=O)oc(C)c1C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
The InChIKey is SIIFKEJGFOFABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c1-7-5-11(17)19-8(2)12(7)13(18)16-10-4-3-9(14)6-15-10/h3-6H,1-2H3,(H,15,16,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide?
N-(5-chloro-2-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-(5-chloro-2-pyridinyl)-2,4-dimethyl-6-oxopyran-3-carboxamide is sourced from PubChem (CID 3370368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).