N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide

C15H13N3O3 — CID 62354736

IUPACN-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C15H13N3O3/c1-20-11-4-3-5-12(21-2)14(11)15(19)18-13-7-6-10(8-16)9-17-13/h3-7,9H,1-2H3,(H,17,18,19)
InChIKeyJUQWSXHLHGEILN-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.22
Rot. Bonds4

About N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide

N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide (PubChem CID 62354736) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
PubChem CID62354736
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC NameN-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(C#N)cn1
InChIInChI=1S/C15H13N3O3/c1-20-11-4-3-5-12(21-2)14(11)15(19)18-13-7-6-10(8-16)9-17-13/h3-7,9H,1-2H3,(H,17,18,19)
InChIKeyJUQWSXHLHGEILN-UHFFFAOYSA-N
XLogP2.22
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(4-cyanoanilino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113037270
N-(5-cyano-2-pyridinyl)-3-methoxypyridine-4-carboxamide
CID 105063451
1-(5-cyano-2-pyridinyl)-3-(3-methoxyphenyl)urea
CID 62353543
N-(5-cyano-2-pyridinyl)benzamide
CID 23072953
N-(5-cyano-2-pyridinyl)-2,4,5-trimethylbenzamide
CID 115273472
[[N-(5-cyano-2-pyridinyl)-N'-[(2,6-dimethoxyphenyl)methyl]carbamimidoyl]amino] acetate
CID 87434462
N-(5-cyano-2-pyridinyl)-3-(dimethylamino)benzamide
CID 62354745
N-[5-(dipropylamino)-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113030910
N-(5-cyano-2-pyridinyl)-3-[(4-methoxyphenyl)methoxy]benzamide
CID 90237587
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
CID 69301058
N-(5-cyano-2-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 79502806
N-(5-cyano-2-pyridinyl)-6-fluoropyridine-2-carboxamide
CID 104535200

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide (CID 62354736) is N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(C#N)cn1.
What is the InChIKey of N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide?
The InChIKey is JUQWSXHLHGEILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-20-11-4-3-5-12(21-2)14(11)15(19)18-13-7-6-10(8-16)9-17-13/h3-7,9H,1-2H3,(H,17,18,19).
What are the key properties of N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide?
N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide has a molecular weight of 283.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-pyridinyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 62354736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).