N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide

C16H11N3O2 — CID 23736880

IUPACN-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2oc3cccnc3c2C#N)cc1
InChIInChI=1S/C16H11N3O2/c1-10-4-6-11(7-5-10)15(20)19-16-12(9-17)14-13(21-16)3-2-8-18-14/h2-8H,1H3,(H,19,20)
InChIKeyLYVNXWLEVLXPFE-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.26
Rot. Bonds2

About N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide

N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide (PubChem CID 23736880) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide
PubChem CID23736880
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC NameN-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2oc3cccnc3c2C#N)cc1
InChIInChI=1S/C16H11N3O2/c1-10-4-6-11(7-5-10)15(20)19-16-12(9-17)14-13(21-16)3-2-8-18-14/h2-8H,1H3,(H,19,20)
InChIKeyLYVNXWLEVLXPFE-UHFFFAOYSA-N
XLogP3.26
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-4-methylbenzamide
CID 108762728
N-(3-cyano-4,5-diphenylfuran-2-yl)-4-methylbenzamide
CID 108757664
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
methyl 4-cyano-2-methyl-5-(pyridine-3-carbonylamino)furan-3-carboxylate
CID 108757223
N-(3-cyano-4-methylfuran-2-yl)benzamide
CID 13416964
N-(5,7-dinitroquinolin-8-yl)-4-methylbenzamide
CID 5213337
1-N-(2-cyanophenyl)-4-N-quinolin-8-ylbenzene-1,4-dicarboxamide
CID 109050221
N-(3-cyano-4,5-diphenylfuran-2-yl)-2,3-dimethylquinoxaline-6-carboxamide
CID 108757752
4-(6-methyl-4-oxochromen-2-yl)-N-quinolin-8-ylbenzamide
CID 108790350
N-(5-acetyl-3-cyano-4-methylthiophen-2-yl)-4-methylbenzamide
CID 126064797
4-methyl-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]benzamide
CID 110402217

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide?
The IUPAC name of N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide (CID 23736880) is N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2oc3cccnc3c2C#N)cc1.
What is the InChIKey of N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide?
The InChIKey is LYVNXWLEVLXPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c1-10-4-6-11(7-5-10)15(20)19-16-12(9-17)14-13(21-16)3-2-8-18-14/h2-8H,1H3,(H,19,20).
What are the key properties of N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide?
N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide has a molecular weight of 277.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanofuro[3,2-b]pyridin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 23736880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).