3-[(6-cyano-2-pyridinyl)amino]benzamide

C13H10N4O — CID 107811342

IUPAC3-[(6-cyano-2-pyridinyl)amino]benzamide
SMILESN#Cc1cccc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H10N4O/c14-8-11-5-2-6-12(17-11)16-10-4-1-3-9(7-10)13(15)18/h1-7H,(H2,15,18)(H,16,17)
InChIKeyUMQGVXCHZBULNM-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.80
Rot. Bonds3

About 3-[(6-cyano-2-pyridinyl)amino]benzamide

3-[(6-cyano-2-pyridinyl)amino]benzamide (PubChem CID 107811342) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3-[(6-cyano-2-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name3-[(6-cyano-2-pyridinyl)amino]benzamide
PubChem CID107811342
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name3-[(6-cyano-2-pyridinyl)amino]benzamide
SMILESN#Cc1cccc(Nc2cccc(C(N)=O)c2)n1
InChIInChI=1S/C13H10N4O/c14-8-11-5-2-6-12(17-11)16-10-4-1-3-9(7-10)13(15)18/h1-7H,(H2,15,18)(H,16,17)
InChIKeyUMQGVXCHZBULNM-UHFFFAOYSA-N
XLogP1.80
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-methylsulfanyl-2-pyridinyl)amino]benzamide
CID 171387328
methyl 2-[3-[(6-cyano-2-pyridinyl)amino]phenyl]acetate
CID 133416630
3-[(5-bromo-6-methyl-2-pyridinyl)amino]benzamide
CID 114047764
methyl N-[4-[(6-cyano-2-pyridinyl)amino]phenyl]carbamate
CID 133392173
3-(cyanoamino)benzamide
CID 19926828
6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
CID 133392722
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
CID 133392213
6-(3,5-dimethoxyanilino)pyridine-2-carbonitrile
CID 64590042

Frequently Asked Questions

What is the IUPAC name of 3-[(6-cyano-2-pyridinyl)amino]benzamide?
The IUPAC name of 3-[(6-cyano-2-pyridinyl)amino]benzamide (CID 107811342) is 3-[(6-cyano-2-pyridinyl)amino]benzamide.
What is the SMILES notation for 3-[(6-cyano-2-pyridinyl)amino]benzamide?
The canonical SMILES for 3-[(6-cyano-2-pyridinyl)amino]benzamide is N#Cc1cccc(Nc2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-[(6-cyano-2-pyridinyl)amino]benzamide?
The InChIKey is UMQGVXCHZBULNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-8-11-5-2-6-12(17-11)16-10-4-1-3-9(7-10)13(15)18/h1-7H,(H2,15,18)(H,16,17).
What are the key properties of 3-[(6-cyano-2-pyridinyl)amino]benzamide?
3-[(6-cyano-2-pyridinyl)amino]benzamide has a molecular weight of 238.25 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-cyano-2-pyridinyl)amino]benzamide is sourced from PubChem (CID 107811342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).