N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide

C16H16N2O2 — CID 125421842

IUPACN-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide
SMILESCC[C@H](CC#N)NC(=O)c1cccc2cc(O)ccc12
InChIInChI=1S/C16H16N2O2/c1-2-12(8-9-17)18-16(20)15-5-3-4-11-10-13(19)6-7-14(11)15/h3-7,10,12,19H,2,8H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyXCLSVEGVBMULLR-GFCCVEGCSA-N
MW268.32 g/mol
LogP2.97
Rot. Bonds4

About N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide

N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide (PubChem CID 125421842) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide
PubChem CID125421842
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC NameN-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide
SMILESCC[C@H](CC#N)NC(=O)c1cccc2cc(O)ccc12
InChIInChI=1S/C16H16N2O2/c1-2-12(8-9-17)18-16(20)15-5-3-4-11-10-13(19)6-7-14(11)15/h3-7,10,12,19H,2,8H2,1H3,(H,18,20)/t12-/m1/s1
InChIKeyXCLSVEGVBMULLR-GFCCVEGCSA-N
XLogP2.97
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-cyanobutan-2-yl]-2,3-dihydroxybenzamide
CID 124571494
N-(1-cyanobutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 75507222
2,3-dichloro-N-(1-cyanobutan-2-yl)benzamide
CID 55101832
5-chloro-N-(1-cyanobutan-2-yl)-2-hydroxybenzamide
CID 62647939
N-(1-cyanobutan-2-yl)-2,4-dimethylbenzamide
CID 62646698
2-bromo-N-(1-cyanobutan-2-yl)pyridine-3-carboxamide
CID 104694857
5-bromo-N-(1-cyanobutan-2-yl)-2-methylbenzamide
CID 65308104
4-chloro-N-(1-cyanobutan-2-yl)quinoline-2-carboxamide
CID 63376390
2-amino-4-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 55179032
4-bromo-2-chloro-N-(1-cyanobutan-2-yl)benzamide
CID 62646522
N-(1-cyanobutan-2-yl)-2-methoxy-5-methylbenzamide
CID 62647253
4-bromo-N-(1-cyanobutan-2-yl)-3-hydroxybenzamide
CID 113442307

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide?
The IUPAC name of N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide (CID 125421842) is N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide?
The canonical SMILES for N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide is CC[C@H](CC#N)NC(=O)c1cccc2cc(O)ccc12.
What is the InChIKey of N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide?
The InChIKey is XCLSVEGVBMULLR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-2-12(8-9-17)18-16(20)15-5-3-4-11-10-13(19)6-7-14(11)15/h3-7,10,12,19H,2,8H2,1H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide?
N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-cyanobutan-2-yl]-6-hydroxynaphthalene-1-carboxamide is sourced from PubChem (CID 125421842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).