5-acetamido-6-cyanonaphthalene-2-carboxylic acid

C14H10N2O3 — CID 163963890

IUPAC5-acetamido-6-cyanonaphthalene-2-carboxylic acid
SMILESCC(=O)Nc1c(C#N)ccc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H10N2O3/c1-8(17)16-13-11(7-15)3-2-9-6-10(14(18)19)4-5-12(9)13/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeySJXZDVGFTATGPD-UHFFFAOYSA-N
MW254.24 g/mol
LogP2.37
Rot. Bonds2

About 5-acetamido-6-cyanonaphthalene-2-carboxylic acid

5-acetamido-6-cyanonaphthalene-2-carboxylic acid (PubChem CID 163963890) has the molecular formula C14H10N2O3 and a molecular weight of 254.24 g/mol. Its IUPAC name is 5-acetamido-6-cyanonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5-acetamido-6-cyanonaphthalene-2-carboxylic acid
PubChem CID163963890
Molecular FormulaC14H10N2O3
Molecular Weight254.24 g/mol
Exact Mass254.07
IUPAC Name5-acetamido-6-cyanonaphthalene-2-carboxylic acid
SMILESCC(=O)Nc1c(C#N)ccc2cc(C(=O)O)ccc12
InChIInChI=1S/C14H10N2O3/c1-8(17)16-13-11(7-15)3-2-9-6-10(14(18)19)4-5-12(9)13/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeySJXZDVGFTATGPD-UHFFFAOYSA-N
XLogP2.37
TPSA90.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-6-methoxynaphthalene-2-carboxylic acid
CID 167738433
4-cyanonaphthalene-2,6-dicarboxylic acid
CID 132573257
N-(2,6-dicyanophenyl)acetamide
CID 151583122
3-cyano-4-methylbenzoic acid
CID 10012188
3-cyano-4-(methylamino)benzoic acid
CID 131012409
naphthalene-2,6-dicarboxylic acid;thorium
CID 175461115
bis(naphthalene-2,6-dicarboxylic acid);zirconium
CID 162353964
CID 67200510
CID 67200510
N-(3,4-dicyanophenyl)acetamide
CID 12938829
3-cyano-1-ethylindole-6-carboxylic acid
CID 59425917
4-cyanatonaphthalene-2,6-dicarboxylic acid
CID 139964498
3,4-diacetamidobenzoic acid
CID 2735923

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-6-cyanonaphthalene-2-carboxylic acid?
The IUPAC name of 5-acetamido-6-cyanonaphthalene-2-carboxylic acid (CID 163963890) is 5-acetamido-6-cyanonaphthalene-2-carboxylic acid.
What is the SMILES notation for 5-acetamido-6-cyanonaphthalene-2-carboxylic acid?
The canonical SMILES for 5-acetamido-6-cyanonaphthalene-2-carboxylic acid is CC(=O)Nc1c(C#N)ccc2cc(C(=O)O)ccc12.
What is the InChIKey of 5-acetamido-6-cyanonaphthalene-2-carboxylic acid?
The InChIKey is SJXZDVGFTATGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O3/c1-8(17)16-13-11(7-15)3-2-9-6-10(14(18)19)4-5-12(9)13/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-acetamido-6-cyanonaphthalene-2-carboxylic acid?
5-acetamido-6-cyanonaphthalene-2-carboxylic acid has a molecular weight of 254.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-6-cyanonaphthalene-2-carboxylic acid is sourced from PubChem (CID 163963890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).